All the fundraising deals in the AI in drug discovery market (from Q2 2025 to Q2 2026)
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The AI in drug discovery market recorded 47 disclosed equity rounds between Q2 2025 and Q2 2026.
These AI drug discovery startups raised a combined $4.45 billion during the five-quarter period.
Isomorphic Labs alone raised $2.1 billion, which represented almost half of all funding in the dataset.
And if you want to better understand this new industry, you can download our pitch covering the AI in drug discovery market.
Insights
- The AI in drug discovery market raised $4.45 billion across 47 rounds, but Isomorphic Labs represented 47.2% of the total with one $2.1 billion financing.
- Quarterly AI drug discovery funding increased from $40.5 million in Q2 2025 to $2.24 billion in Q2 2026, while the number of deals rose from four to seven.
- Without Isomorphic Labs, Q2 2026 funding would have reached $136.3 million, below the totals recorded in Q3 2025, Q4 2025 and Q1 2026.
- De novo drug design companies secured $3.71 billion, equal to 83.3% of all AI in drug discovery market funding during the period.
- Q4 2025 recorded the highest deal count, with 15 rounds spread across AI chemistry, protein design, robotic laboratories and target discovery.
- The AI in drug discovery market has a barbell structure, with many rounds below $30 million and a small number of exceptionally large platform financings.
- Investors increasingly backed platforms that combine AI models with laboratories, robotics, imaging, biological datasets or automated chemistry systems.
- Chai Discovery raised two rounds within five months, moving from a $70 million Series A to a $130 million Series B.
- Funding concentration increased sharply in 2026, as Earendil Labs represented 77.3% of Q1 funding and Isomorphic Labs represented 93.9% of Q2 funding.
- Alexandria Venture Investments appeared in five rounds, making Alexandria Venture Investments the most active disclosed investor by number of deals.
This market map, featured in our AI in drug discovery market deck, highlights top companies and startups in the AI in drug discovery market
Summary table of the funding deals in the AI in drug discovery market (last 5 quarters)
We define the AI in drug discovery market as revenue from AI-enabled software and related services that materially support the identification and design of therapeutic candidates before human trials.
We include AI used for target identification and validation, hit and lead generation, lead optimization, de novo design, drug repurposing and preclinical prediction such as ADMET and toxicity assessment.
We exclude AI primarily used for clinical trial operations, regulatory submissions, manufacturing, pharmacovigilance or business analytics that are not directly tied to discovery and preclinical candidate selection.
You can also read our detailed analysis to understand how funding activity in the AI in drug discovery market has evolved over the last few years.
Also, you should know that we have a dedicated page, updated weekly, with all the latest fundraising deals in the AI in drug discovery market.
| Name | What they do | Amount in $ | Quarter |
|---|---|---|---|
| OutSee | Uses predictive genomics to find disease signals and rank therapeutic targets. | $2.3M | Q2 2025 |
| Kiin Bio | Builds AI virtual scientists that plan and interpret biological experiments. | $2.2M | Q2 2025 |
| ProteinQure | Uses AI and physics to design therapeutic peptides, mainly for cancer. | $11M | Q2 2025 |
| Inductive Bio | Predicts drug properties such as toxicity and absorption before candidate selection. | $25M | Q2 2025 |
| Synfini | Combines generative chemistry, reaction planning and automated compound synthesis. | $8.9M | Q3 2025 |
| Manas AI | Uses AI to identify cancer targets and design new oncology medicines. | $26M | Q3 2025 |
| Chai Discovery | Builds foundation models that design proteins, antibodies and therapeutic biomolecules. | $70M | Q3 2025 |
| Tahoe Therapeutics | Uses single-cell data and virtual-cell models to predict drug response. | $30M | Q3 2025 |
| CHARM Therapeutics | Uses structural AI to design oncology drugs for difficult biological targets. | $80M | Q3 2025 |
| DaltonTx | Connects biological evidence and experiments to improve drug target selection. | $5.4M | Q3 2025 |
| Enveda Biosciences | Uses machine learning to discover drug-like molecules from natural chemistry. | $150M | Q3 2025 |
| Bexorg | Tests medicines on living human brain tissue using measurements and machine learning. | $23M | Q4 2025 |
| Chemify | Uses AI and robotic chemistry to design and manufacture new molecules. | $50M | Q4 2025 |
| Iambic Therapeutics | Uses neural networks and structural biology to design small-molecule medicines. | $100M | Q4 2025 |
| Scripta Therapeutics | Uses AI and imaging to discover drugs that change transcription-factor activity. | $12M | Q4 2025 |
| TandemAI | Combines computational chemistry, AI and laboratory services for small-molecule discovery. | $22M | Q4 2025 |
| AI Proteins | Uses generative AI to design compact therapeutic proteins from scratch. | $41.5M | Q4 2025 |
| Relation Therapeutics | Combines patient data, biology and machine learning to discover drug targets. | $26M | Q4 2025 |
| Medra | Builds robotic AI scientists that plan and conduct drug discovery experiments. | $52M | Q4 2025 |
| Chai Discovery | Uses molecular foundation models to generate proteins, antibodies and other biologics. | $130M | Q4 2025 |
| ChemLex | Operates AI-controlled chemistry laboratories that design and synthesize pharmaceutical compounds. | $45M | Q4 2025 |
| Excelsior Sciences | Combines AI decisions with autonomous chemistry laboratories for drug discovery. | $70M | Q4 2025 |
| Profluent | Uses generative models to design genome editors, antibodies and therapeutic proteins. | $106M | Q4 2025 |
| Onepot AI | Turns computer-generated molecular ideas into synthesized small-molecule compounds. | $13M | Q4 2025 |
| PsiThera | Uses AI and quantum chemistry to design medicines for difficult targets. | $47.5M | Q4 2025 |
| Expedition Medicines | Uses generative chemistry to create medicines for hard-to-treat biological targets. | $50M | Q4 2025 |
| OutSee | Uses predictive genomics to discover and rank potential therapeutic targets. | $3.2M | Q1 2026 |
| Proxima | Maps protein interactions to design molecular glues and proximity-based medicines. | $80M | Q1 2026 |
| Converge Bio | Provides generative AI for target discovery, antibody design and molecule generation. | $25M | Q1 2026 |
| Galux | Uses AI and laboratory feedback to design therapeutic proteins and antibodies. | $29M | Q1 2026 |
| Peptris | Uses AI to generate and evaluate peptide and small-molecule drug candidates. | $7.7M | Q1 2026 |
| Pharmacelera | Combines molecular modelling, quantum mechanics and AI for lead discovery. | $6.5M | Q1 2026 |
| Tamarind Bio | Provides cloud-based protein and molecule design models to drug researchers. | $13.6M | Q1 2026 |
| Topos Bio | Models flexible proteins that standard structure-based drug tools cannot easily target. | $10.5M | Q1 2026 |
| Boltz | Builds open biomolecular models for structure prediction and therapeutic design. | $28M | Q1 2026 |
| RyboDyn | Uses ribosome data and AI to uncover hidden cancer drug targets. | $10M | Q1 2026 |
| Ternary Therapeutics | Uses AI and physics to design molecular-glue medicines. | $4.5M | Q1 2026 |
| Antiverse | Designs antibodies for difficult membrane proteins such as GPCRs and ion channels. | $9.3M | Q1 2026 |
| Sable Bio | Uses AI to identify target-safety and toxicity risks before development. | $3.75M | Q1 2026 |
| Earendil Labs | Uses AI to design antibodies and biologic medicines for cancer and autoimmune disease. | $787M | Q1 2026 |
| Generare | Uses AI and microbial genomes to discover previously hidden natural molecules. | $23M | Q2 2026 |
| DeepCyte | Uses cellular imaging and AI to predict toxicity and biological response. | $1.5M | Q2 2026 |
| Helical | Uses biological foundation models for target discovery and therapeutic design. | $10M | Q2 2026 |
| 10x Science | Uses AI to assess protein quality and drug-candidate characteristics. | $4.8M | Q2 2026 |
| Fathom Therapeutics | Combines protein simulations, quantum chemistry and AI to design small-molecule drugs. | $47M | Q2 2026 |
| Isomorphic Labs | Builds AI systems that design small molecules, biologics and antibodies. | $2.1B | Q2 2026 |
| Xellar Biosystems | Uses organ-on-chip systems and AI to predict human drug response. | $50M | Q2 2026 |
In our AI in drug discovery market deck, we identify pain points entrepreneurs should prioritize
How has funding activity in the AI in drug discovery market changed over time?
Q2 2026 was the largest quarter, but Isomorphic Labs generated $2.1 billion of the quarter's $2.24 billion total.
Q2 2025 was the smallest quarter because only four AI drug discovery startups announced qualifying rounds.
AI in drug discovery market funding increased by 119.7% from Q1 2026 to Q2 2026 and by 5,421.7% from Q2 2025 to Q2 2026.
Without the largest round in each quarter, the trend becomes much flatter. Q4 2025 had the broadest activity because funding was spread across many companies instead of one dominant financing.
| Quarter | Number of deals | Total raised ($) | Comment |
|---|---|---|---|
| Q2 2025 | 4 | $40.5M | Early funding focused on small target discovery, peptide design and preclinical prediction platforms. |
| Q3 2025 | 7 | $370.3M | Enveda, CHARM and Chai lifted funding while several smaller discovery platforms also raised capital. |
| Q4 2025 | 15 | $788M | The quarter had the most deals and the broadest mix of AI drug discovery technologies. |
| Q1 2026 | 14 | $1.02B | Earendil Labs dominated funding, although 13 other companies also completed smaller rounds. |
| Q2 2026 | 7 | $2.24B | Isomorphic Labs created a record quarter with its exceptional $2.1 billion Series B. |
| Total | 47 | $4.45B | Funding increased sharply, but a small number of very large rounds shaped the overall result. |
This chart, featured in our AI in drug discovery market deck, shows how Shrödinger is positioned in AI drug discovery
Which startups in the AI in drug discovery market raised the largest rounds over the last months?
These startups raised the most recently in the AI in drug discovery market:
- Isomorphic Labs raised $2.1 billion to scale its AI drug-design engine, expand globally and move internal and partnered medicines forward.
- Earendil Labs announced $787 million in cumulative financing to operate several biologics programs and build a large AI-driven research organization.
- Enveda Biosciences raised $150 million to expand its natural-molecule discovery engine and advance clinical and preclinical medicines.
- Chai Discovery raised $130 million to train larger molecular models, validate designs in laboratories and expand therapeutic partnerships.
- Profluent raised $106 million to advance AI-designed genome editors and expand its generative protein-design platform.
- Iambic Therapeutics raised $100 million to advance oncology candidates and scale its AI and structural biology platform.
- CHARM Therapeutics raised $80 million to expand DragonFold and advance medicines against difficult cancer targets.
- Proxima raised $80 million to build its protein-interaction platform and develop molecular glues and other proximity-based medicines.
- Chai Discovery raised $70 million to train larger models, expand laboratory testing and convert generated designs into therapeutic programs.
- Excelsior Sciences raised $70 million to build autonomous laboratories and launch AI-powered small-molecule discovery programs.
And, yes, we do cover most of them in our our beautiful pitch about the AI in drug discovery market.
You may also want to check our ranking of the most funded startups in the AI in drug discovery market as well as our list of the most valued startups.
This chart, featured in our AI in drug discovery market deck, shows annual funding in AI drug discovery startups
Is the AI in drug discovery market shifting toward smaller or bigger deals?
The average AI in drug discovery funding round across the five-quarter period was about $94.7 million.
The quarterly average increased from $10.1 million in Q2 2025 to $319.5 million in Q2 2026. Isomorphic Labs and Earendil Labs caused most of this increase.
Without the largest outliers, the AI in drug discovery market still shows stronger funding, but most companies continue to raise rounds between $3 million and $50 million.
| Quarter | Number of deals | Average deal size | Deals below $2M | Deals above $50M |
|---|---|---|---|---|
| Q2 2025 | 4 | $10.13M | 0 | 0 |
| Q3 2025 | 7 | $52.90M | 0 | 3 |
| Q4 2025 | 15 | $52.53M | 0 | 5 |
| Q1 2026 | 14 | $72.72M | 0 | 2 |
| Q2 2026 | 7 | $319.47M | 1 | 1 |
| All quarters | 47 | $94.75M | 1 | 11 |
This chart, featured in our AI in drug discovery market deck, compares the main business model options for AI drug discovery biotech companies
How concentrated was funding activity in the AI in drug discovery market?
Funding concentration was moderate in 2025, but the AI in drug discovery market became highly concentrated in 2026. Earendil Labs and Isomorphic Labs each controlled more than three quarters of funding in their respective quarters.
Q4 2025 was the most balanced quarter because the largest deal represented only 16.5% of funding and 15 companies raised capital.
| Quarter | Number of deals | Top 1 | Top 3 | Top 10 |
|---|---|---|---|---|
| Q2 2025 | 4 | 61.7% | 94.6% | 100.0% |
| Q3 2025 | 7 | 40.5% | 81.0% | 100.0% |
| Q4 2025 | 15 | 16.5% | 42.6% | 86.5% |
| Q1 2026 | 14 | 77.3% | 88.0% | 98.6% |
| Q2 2026 | 7 | 93.9% | 98.4% | 100.0% |
| All quarters | 47 | 47.2% | 68.2% | 82.4% |
This chart, featured in our AI in drug discovery market deck, shows revenue breakdown by customer segment in the AI in drug discovery market
Which categories in the AI in drug discovery market received the most funding?
De Novo Design received $3.71 billion, or 83.3% of all funding, because investors backed companies that directly create new therapeutic candidates. Isomorphic Labs and Earendil Labs drove much of this total.
AI Lead Generation received $531.8 million across 14 deals. Investors supported platforms that can design, synthesize and test potential compounds more quickly.
Preclinical Prediction AI received $141.25 million across seven deals. These companies raised smaller amounts because the platforms mainly help researchers assess candidates rather than own broad drug pipelines.
| Category name | Number of deals | Total raised | Startups and amount |
|---|---|---|---|
| De Novo Design | 20 | $3.71B | ProteinQure ($11M), Manas AI ($26M), Chai Discovery ($70M and $130M), CHARM Therapeutics ($80M), Iambic Therapeutics ($100M), AI Proteins ($41.5M), Profluent ($106M), PsiThera ($47.5M), Expedition Medicines ($50M), Proxima ($80M), Galux ($29M), Peptris ($7.7M), Boltz ($28M), Ternary Therapeutics ($4.5M), Antiverse ($9.3M), Earendil Labs ($787M), Fathom Therapeutics ($47M), Isomorphic Labs ($2.1B) |
| AI Lead Generation | 14 | $531.8M | Kiin Bio ($2.2M), Synfini ($8.9M), Enveda Biosciences ($150M), Chemify ($50M), TandemAI ($22M), Medra ($52M), ChemLex ($45M), Excelsior Sciences ($70M), Onepot AI ($13M), Converge Bio ($25M), Pharmacelera ($6.5M), Tamarind Bio ($13.6M), Generare ($23M) |
| Preclinical Prediction AI | 7 | $141.25M | Inductive Bio ($25M), Tahoe Therapeutics ($30M), Bexorg ($23M), Sable Bio ($3.75M), DeepCyte ($1.5M), 10x Science ($4.8M), Xellar Biosystems ($50M) |
This chart, featured in our AI in drug discovery market deck, shows how AI drug discovery platform technology has evolved over time
Who are the biggest investors in the AI in drug discovery market?
Alexandria Venture Investments was the most active investor, with five disclosed deals linked to rounds totaling $248 million.
DCVC participated in four deals linked to $306 million, including two Chai Discovery rounds, Relation Therapeutics and Proxima.
NVentures participated in four rounds linked to $292 million across CHARM Therapeutics, Relation Therapeutics, Profluent and Proxima.
Dimension Capital appeared in three rounds linked to $870.6 million, mainly because Dimension Capital invested in Earendil Labs.
Menlo Ventures participated in three rounds linked to $252 million, including both Chai Discovery financings and Medra.
Yosemite participated in three rounds linked to $280 million across Chai Discovery and Proxima.
Catalio Capital Management participated in three rounds linked to $175 million across Bexorg, Iambic Therapeutics and Medra.
Mubadala Capital participated in three rounds linked to $210 million across Tahoe Therapeutics, Iambic Therapeutics and CHARM Therapeutics.
Y Combinator participated in three early-stage rounds linked to $35 million across Kiin Bio, Boltz and 10x Science.
General Catalyst participated in three rounds linked to $236 million across Manas AI, CHARM Therapeutics and Chai Discovery.
Disclaimer: this investor list may be incomplete; we focus on publicly disclosed lead and prominent recurring investors, so some frequent minority participants may be underrepresented. “Total funded” does not represent the amount personally invested by an individual investor. Instead, it refers to the aggregate amount raised across all fundraising rounds in which the investor participated.
| Investor | Number of deals | Total funded | Startups |
|---|---|---|---|
| Alexandria Venture Investments | 5 | $248M | ProteinQure, Iambic Therapeutics, Proxima, RyboDyn and Fathom Therapeutics |
| DCVC | 4 | $306M | Chai Discovery twice, Relation Therapeutics and Proxima |
| NVentures / Nvidia | 4 | $292M | CHARM Therapeutics, Relation Therapeutics, Profluent and Proxima |
| Dimension Capital | 3 | $870.6M | Chai Discovery, Tamarind Bio and Earendil Labs |
| Yosemite | 3 | $280M | Chai Discovery twice and Proxima |
| Menlo Ventures / Anthology Fund | 3 | $252M | Chai Discovery twice and Medra |
| General Catalyst | 3 | $236M | Manas AI, CHARM Therapeutics and Chai Discovery |
| Mubadala Capital | 3 | $210M | Tahoe Therapeutics, Iambic Therapeutics and CHARM Therapeutics |
| Catalio Capital Management | 3 | $175M | Bexorg, Iambic Therapeutics and Medra |
| Y Combinator | 3 | $35M | Kiin Bio, Boltz and 10x Science |
This chart, featured in our AI in drug discovery market deck, shows how pharma partnerships have driven growth in the AI drug discovery market over time
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- How strong is fundraising in the AI in drug discovery market right now?
