All the fundraising deals in the AI in drug discovery market (from Q1 2025 to Q1 2026)
Download our beautiful pitch about the AI in drug discovery market
In our AI in drug discovery market deck, you will find everything you need to understand the market
Between Q1 2025 and Q1 2026, startups in the AI in drug discovery market raised over $3.1 billion across 38 publicly disclosed funding rounds.
The biggest deals went to companies building end-to-end platforms for small-molecule design and protein-based biologics, with Earendil Labs ($787M) and Isomorphic Labs ($600M) leading the pack.
Capital remains heavily concentrated at the top, but Q4 2025 stood out as the broadest quarter, with 13 deals spreading funding across a wider range of AI drug discovery startups.
And if you want to better understand this new industry, you can download our pitch covering the AI in drug discovery market.
Insights
- In Q1 2026, a single deal (Earendil Labs at $787M) captured 81.5% of all AI drug discovery funding that quarter, showing how one mega-round can dominate the entire market's optics.
- Small-molecule design and end-to-end discovery attracted roughly $1.67 billion across 18 deals, making it the largest category in the AI in drug discovery market by a wide margin.
- Protein and biologics design has become a genuine second pole, pulling in about $1.32 billion across 9 deals and closing the gap with small-molecule AI platforms.
- Q4 2025 was the most diversified quarter, with 13 AI drug discovery deals totaling $1.02 billion, meaning no single startup took more than 29% of the total.
- Only 3 investors (Sanofi, Andreessen Horowitz, and General Catalyst) appeared in more than one disclosed deal, suggesting the AI drug discovery investor base is still fragmented.
- The average deal size across all five quarters was about $82 million, but that number is heavily skewed by a handful of rounds above $100 million.
- Closed-loop platforms that combine AI with robotics and wet-lab execution (like Medra, Excelsior Sciences, and Chemify) raised a combined $172 million in Q4 2025 alone.
- Preclinical prediction startups like Inductive Bio and Sable Bio are carving out a niche in AI drug discovery, but their combined funding ($28.75M) is still tiny compared to molecule-design platforms.
- Seed rounds in the AI in drug discovery market are getting larger: Proxima raised $80M and Manas AI raised $24.6M at the seed stage, signaling rising investor confidence in early-stage AI biotech.
- Sanofi is the only Big Pharma name appearing as a repeat investor in this dataset, backing both Enveda Biosciences and Earendil Labs across different quarters.
In our AI in drug discovery market deck, we will give you useful market maps and grids
Summary table of the funding deals in the AI in drug discovery market (last 5 quarters)
We define the AI in drug discovery market as revenue from AI-enabled software and related services that materially support the identification and design of therapeutic candidates before human trials.
We include AI used for target identification/validation, hit/lead generation, lead optimization, de novo design, repurposing, and preclinical prediction/assessment (e.g., ADMET/tox).
We exclude AI primarily used for clinical trial operations, regulatory submissions, manufacturing, pharmacovigilance, or commercial/enterprise analytics not directly tied to discovery and preclinical candidate selection.
You can also read our detailed analysis to understand how funding activity in the AI in drug discovery market has evolved over the last few years.
Also, you should know that we have a dedicated page, updated weekly, with all the latest fundraising deals in the AI in drug discovery market.
| Name | What they do | Amount ($M) | Quarter | Source(s) |
|---|---|---|---|---|
| Isomorphic Labs | Builds frontier AI models for structure-guided drug design | $600M | Q1 2025 | TechCrunch |
| Insilico Medicine | Runs an end-to-end generative AI platform for drug discovery | $123M | Q1 2025 | Fierce Biotech |
| Latent Labs | Uses generative AI to design proteins and antibodies from scratch | $50M | Q1 2025 | Business Wire |
| Manas AI | Builds AI-native oncology drug discovery models | $24.6M | Q1 2025 | TechCrunch |
| Enveda Biosciences | Uses AI plus metabolomics to discover nature-derived medicines | ~$20M | Q1 2025 | Business Wire |
| Pepticom | Uses AI and computational chemistry to design peptide therapeutics | $6.6M | Q1 2025 | PR Newswire |
| Variational AI | Builds foundation models for small-molecule lead optimization | $5.5M | Q1 2025 | Business Wire |
| InVirtuoLabs | Applies generative AI and molecular simulation to drug discovery | $3.1M | Q1 2025 | EU-Startups |
| Inductive Bio | Predicts ADMET properties to help kill weak molecules earlier | $25M | Q2 2025 | PR Newswire |
| ProteinQure | Designs peptide therapeutics using AI for oncology | $11M | Q2 2025 | Business Wire |
| Outsee | Applies predictive genomics to find and prioritize drug targets | $2.3M | Q2 2025 | Tech Funding News |
| Kiin Bio | Builds an AI-native platform with autonomous agents for discovery | $2.2M | Q2 2025 | EU-Startups |
| Chai Discovery | Builds generative models for de novo antibody and protein design | $70M | Q3 2025 | Business Wire |
| Manas AI | AI-native oncology drug discovery using neuro-symbolic models | $26M | Q3 2025 | Manas AI |
| Enveda Biosciences | Discovers novel therapeutics from nature's chemistry using AI | $150M | Q3 2025 | Fierce Biotech |
| Synfini | Offers an AI Cloud Foundry for automated molecular design | $8.9M | Q3 2025 | GlobeNewsWire |
| Chai Discovery | Scales de novo biologics design with frontier generative models | $130M | Q4 2025 | Fierce Biotech |
| Insilico Medicine | End-to-end AI platform for small-molecule drug discovery | $293M | Q4 2025 | Fierce Biotech |
| Profluent | Develops frontier protein-design models including AI-designed CRISPR editors | $106M | Q4 2025 | Business Wire |
| Iambic Therapeutics | Combines physics and AI for small-molecule drug design | $100M+ | Q4 2025 | Fierce Biotech |
| Excelsior Sciences | Uses AI and robotics to discover small molecules from smart building blocks | $70M | Q4 2025 | C&EN |
| Medra | Pairs AI reasoning with robotic execution for drug discovery | $52M | Q4 2025 | Business Wire |
| Expedition Medicines | Applies generative covalent chemistry to hit hard protein targets | $50M | Q4 2025 | Fierce Biotech |
| Chemify | Automates small-molecule design and synthesis with AI and robotics | $50M+ | Q4 2025 | Business Wire |
| PsiThera | Combines quantum chemistry, AI, and supercomputing for drug discovery | $47.5M | Q4 2025 | BioPharma Dive |
| ChemLex | Offers AI-powered automated chemical synthesis with robotics | $45M | Q4 2025 | C&EN |
| AI Proteins | Designs stable de novo miniprotein therapeutics | $41.5M | Q4 2025 | Business Wire |
| TandemAI | Integrates AI, physics-based computation, and wet lab for drug discovery | $22M | Q4 2025 | TandemAI |
| Onepot AI | Runs an AI-driven synthesis lab for hard-to-make small molecules | $13M | Q4 2025 | TechCrunch |
| Proxima | Uses AI to design proximity-based medicines through protein interactions | $80M | Q1 2026 | Business Wire |
| Converge Bio | Uses generative AI for antibody design and protein optimization | $25M | Q1 2026 | TechCrunch |
| Topos Bio | Builds AI-driven discovery for hard-to-drug disordered proteins | $10.5M | Q1 2026 | Axios |
| Phylo | Offers an integrated biology environment with AI agents for research | $13.5M | Q1 2026 | Phylo Blog |
| Galux | Uses protein-design AI to create therapeutic proteins and antibodies | $29M | Q1 2026 | Business Wire |
| Pharmacelera | Uses AI and quantum mechanics to search chemical spaces for novel molecules | ~$6.5M | Q1 2026 | Pharmacelera Blog |
| Sable Bio | Predicts target safety and toxicity risk earlier in drug discovery | $3.75M | Q1 2026 | Sable Bio |
| RyboDyn | Uses AI to uncover cryptic cancer targets from the dark proteome | $10M | Q1 2026 | RyboDyn |
| Earendil Labs | Builds an AI-driven biologics discovery and development platform | $787M | Q1 2026 | PR Newswire |
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?
Q4 2025 was the most active quarter, with 13 AI drug discovery deals raising a combined $1.02 billion, though this was spread across many mid-sized rounds rather than dominated by a single mega-deal.
Q2 2025 was the quietest period, with only 4 deals totaling $40.5 million, as the AI in drug discovery market experienced a temporary lull between larger fundraising waves.
Total funding in Q1 2026 ($965.3M) grew by roughly 16% compared to Q1 2025 ($832.8M), but surged dramatically from the same quarter one year earlier when measured against Q2 2025's modest $40.5 million.
If you strip out the top one or two deals each quarter, the underlying trend still shows steady growth: Q4 2025's remaining 11 deals raised about $597 million, and Q1 2026's remaining 7 deals outside Earendil Labs still pulled in $178 million, suggesting broad-based momentum in the AI in drug discovery market beyond just headline rounds.
| Quarter | Number of deals | Total raised ($M) | Comment |
|---|---|---|---|
| Q1 2025 | 8 | $832.8M | Dominated by Isomorphic Labs' $600M round, which alone was 72% of the quarter's total |
| Q2 2025 | 4 | $40.5M | A quiet quarter with only smaller AI drug discovery deals and no rounds above $25M |
| Q3 2025 | 4 | $254.9M | Enveda Biosciences' $150M Series D led the quarter alongside Chai Discovery's $70M Series A |
| Q4 2025 | 13 | $1,020.0M | The broadest quarter with 13 deals, led by Insilico Medicine ($293M) and Chai Discovery ($130M) |
| Q1 2026 | 9 | $965.3M | Earendil Labs' $787M financing captured over 81% of the AI in drug discovery funding this quarter |
| All quarters | 38 | $3,113.5M | Five quarters of strong activity in the AI in drug discovery market, led by a few landmark rounds |
In our AI in drug discovery market deck, we identify repeatable patterns you can use if you’re building in this market
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:
- Earendil Labs raised $787 million in Q1 2026 to scale its AI-driven biologics platform, backed by Sanofi, DST Global, and others, making it the largest AI drug discovery deal in this period.
- Isomorphic Labs raised $600 million in Q1 2025 from Thrive Capital, GV, and Alphabet to scale its AlphaFold-derived structure intelligence for medicine design.
- Insilico Medicine raised $293 million in Q4 2025 to expand its end-to-end AI drug discovery platform and deepen its clinical and preclinical pipeline.
- Enveda Biosciences raised $150 million in a Q3 2025 Series D led by Premji Invest to push more nature-inspired drug programs into clinical trials.
- Chai Discovery raised $130 million in a Q4 2025 Series B to double down on commercializing its generative models for de novo biologics design.
- Insilico Medicine raised $123 million earlier in Q1 2025, fueling the same end-to-end generative AI platform for target discovery and small-molecule design.
- Profluent raised $106 million in a Q4 2025 Series B to scale its frontier protein-design models, including AI-designed CRISPR editors.
- Iambic Therapeutics raised over $100 million in Q4 2025 to advance its physics-plus-AI approach to small-molecule drug design.
- Proxima raised $80 million as a seed round in Q1 2026, led by DCVC, to build a platform for AI-designed proximity-based medicines.
- Excelsior Sciences raised $70 million in Q4 2025 to scale its closed-loop AI and robotics approach to small-molecule discovery.
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.
In our AI in drug discovery market deck, we answer all the common questions from investors and entrepreneurs
Is the AI in drug discovery market shifting toward smaller or bigger deals?
Across all five quarters (Q1 2025 to Q1 2026), the average deal size in the AI in drug discovery market was about $81.9 million, though this number is heavily pulled up by a handful of rounds above $100 million.
Quarter by quarter, the average deal size varied a lot: Q2 2025 averaged just $10.1 million per deal, while Q1 2026 averaged $107.3 million. The swings are mostly driven by whether a given quarter included one or two mega-rounds from companies like Earendil Labs or Isomorphic Labs.
If you strip out the largest outlier each quarter, the trend in AI drug discovery funding looks more stable, with typical deal sizes clustering in the $10M to $50M range, which suggests the broader market is growing steadily even without the headline-grabbing mega-rounds.
| Quarter | Number of deals | Avg. deal size ($M) | Deals below $2M | Deals above $50M |
|---|---|---|---|---|
| Q1 2025 | 8 | $104.1M | 0 | 2 |
| Q2 2025 | 4 | $10.1M | 0 | 0 |
| Q3 2025 | 4 | $63.7M | 0 | 2 |
| Q4 2025 | 13 | $78.5M | 0 | 6 |
| Q1 2026 | 9 | $107.3M | 0 | 2 |
| All quarters | 38 | $81.9M | 0 | 12 |
In our AI in drug discovery market deck, we help you understand how the market is structured
How concentrated was funding activity in the AI in drug discovery market?
Funding in the AI in drug discovery market is extremely top-heavy. In most quarters, the single largest deal captured between 29% and 82% of all funding, which means a handful of startups shape the entire market's narrative.
The exception was Q4 2025, where the top deal (Insilico Medicine at $293M) represented only 28.7% of the quarter's total. That quarter had 13 deals, making it the most evenly distributed period in AI drug discovery funding over the last year.
| Quarter | Number of deals | % by Top 1 | % by Top 3 | % by Top 10 |
|---|---|---|---|---|
| Q1 2025 | 8 | 72.0% | 92.8% | 100.0% |
| Q2 2025 | 4 | 61.7% | 94.6% | 100.0% |
| Q3 2025 | 4 | 58.8% | 96.5% | 100.0% |
| Q4 2025 | 13 | 28.7% | 51.9% | 92.5% |
| Q1 2026 | 9 | 81.5% | 92.8% | 100.0% |
| All quarters | 38 | 25.3% | 54.0% | 93.5% |
In our AI in drug discovery market deck, we have designed useful charts to give you full market clarity
Which categories in the AI in drug discovery market received the most funding?
Small-molecule design and end-to-end discovery raised roughly $1.67 billion across 18 deals, making it the dominant category in the AI in drug discovery market. This makes sense: investors still see the clearest return path in AI tools that directly improve hit finding, lead optimization, and medicinal chemistry speed.
Protein and biologics design came in second at about $1.32 billion across 9 deals, powered by large rounds from Earendil Labs, Chai Discovery, and Profluent. The AI in drug discovery market is now clearly bimodal, with biologics design closing the gap on small-molecule platforms.
Integrated discovery workflows and agentic platforms attracted $67.7 million across 3 deals (Kiin Bio, Medra, and Phylo). While still a much smaller category, these closed-loop systems that combine AI with robotics and lab execution represent a growing investor thesis in AI drug discovery.
| Category | Number of deals | Total raised ($M) | Startups and amount |
|---|---|---|---|
| Small-molecule design & end-to-end discovery | 18 | $1,668.6M | Isomorphic Labs ($600M), Insilico Medicine ($123M + $293M), Manas AI ($24.6M + $26M), Enveda Biosciences (~$20M + $150M), Variational AI ($5.5M), InVirtuoLabs ($3.1M), Synfini ($8.9M), Iambic Therapeutics ($100M), Excelsior Sciences ($70M), Expedition Medicines ($50M), Chemify ($50M), PsiThera ($47.5M), ChemLex ($45M), TandemAI ($22M), Onepot AI ($13M), Topos Bio ($10.5M), Pharmacelera (~$6.5M) |
| Protein / biologics design | 9 | $1,318.5M | Latent Labs ($50M), Chai Discovery ($70M + $130M), Profluent ($106M), AI Proteins ($41.5M), Proxima ($80M), Converge Bio ($25M), Galux ($29M), Earendil Labs ($787M) |
| Integrated discovery workflow / agentic platform | 3 | $67.7M | Kiin Bio ($2.2M), Medra ($52M), Phylo ($13.5M) |
In our AI in drug discovery market deck, we cover the latest tech updates shaping the market
Who are the biggest investors in the AI in drug discovery market?
Sanofi is the most prominent repeat investor in the AI in drug discovery market, participating in 2 deals (Enveda Biosciences and Earendil Labs) that raised a combined $937 million. As a major pharmaceutical company, Sanofi is clearly betting on AI-powered discovery as a strategic advantage for its pipeline.
Andreessen Horowitz also appeared in 2 AI drug discovery deals (Inductive Bio and Phylo) for a combined $38.5 million. Andreessen Horowitz has been expanding its bio and health investing arm, and these deals reflect the firm's growing interest in AI-native biology platforms.
General Catalyst backed 2 deals as well (Manas AI and Earendil Labs) totaling $811.6 million. General Catalyst's involvement in both an early-stage oncology startup and a large biologics platform shows a broad appetite for AI drug discovery across stages.
Disclaimer: this investor list may be incomplete; we focus on publicly disclosed lead and prominent recurring investors, so some frequent minority participants may be underrepresented. "Total funded" does not represent the amount personally invested by an individual investor. Instead, it refers to the aggregate amount raised across all fundraising rounds in which the investor participated.
| Investor | Number of deals | Total funded ($M) | Startups |
|---|---|---|---|
| Sanofi | 2 | $937.0M | Enveda Biosciences, Earendil Labs |
| General Catalyst | 2 | $811.6M | Manas AI, Earendil Labs |
| Andreessen Horowitz | 2 | $38.5M | Inductive Bio, Phylo |
In our AI in drug discovery market deck, we track adoption trends and shifts in consumer behavior
Related blog posts
- All funding deals in AI for drug discovery
- Which companies have raised the most funding in AI for drug discovery?
