Drug discovery
8 labs · 4 models and products Theme: Companies · Generated from this page's data. Click a name to open its panel on the Labs page. Records resting on one source are tagged "one source".AI drug discovery uses computer models to predict how molecules behave, such as what shape a protein takes or whether a drug candidate will bind to it, so that fewer laboratory experiments are needed before a medicine reaches trials. Isomorphic Labs, launched from DeepMind in 2021, co-developed AlphaFold 3 and builds AI models that design medicines for its own programmes and for drug companies (per the site). Alchemab Therapeutics combines deep sequencing and AI to find protective antibodies in people who resist disease, and DaltonTx is building "Dalton", an AI decision engine for drug discovery teams (per the site).
Context
- The government's AI for Science Strategy sets a mission to develop trial-ready drugs within 100 days by 2030. 20 November 2025 gov.uk/government/publications/ai-for-science-st
We will accelerate drug discovery to develop trial-ready drugs within 100 days by 2030
- DSIT invested £8 million in OpenBind, a consortium building a dataset of how drugs bind to proteins. 20 November 2025 gov.uk/government/publications/ai-for-science-st
DSIT has invested £8 million in the ‘OpenBind’ consortium
- The strategy records that Isomorphic Labs was launched from DeepMind in 2021. 20 November 2025 gov.uk/government/publications/ai-for-science-st
Isomorphic Labs was launched from DeepMind in 2021
- AlphaFold 3, from Google DeepMind and Isomorphic Labs, predicts how proteins interact with other molecules, including drugs. 8 May 2024 nature.com/articles/s41586-024-07487-w.pdf
The new AlphaFold model demonstrates significantly improved accuracy over many previous specialised tools
- Isomorphic Labs raised $600 million in its first external round, led by Thrive Capital with GV (reported). 31 March 2025 isomorphiclabs.com/articles/isomorphic-labs-anno
Isomorphic Labs announces it has raised $600 Million in its first external funding round.
- Isomorphic Labs reports its Drug Design Engine more than doubles AlphaFold 3's accuracy on the hardest test cases. 10 February 2026 isomorphiclabs.com/articles/the-isomorphic-labs-
IsoDDE more than doubles the accuracy of AlphaFold 3 on the most difficult systems.
Key papers
- Accurate structure prediction of biomolecular interactions with AlphaFold 3 Nature · 8 May 2024
Labs Round 8 (31 Oct 2026): introduction and facts as the researchers wrote them; "(per the site)" marks a sentence resting on this site's own description of that lab.
| Record | What it is | Place | Links | Confidence |
|---|---|---|---|---|
| Alchemab TherapeuticsCompanies | Antibody drug company that combines deep sequencing and AI to find protective antibodies in people who resist disease; its ALS antibody is licensed to Lilly.Key facts Series A total £109m incl. £25m British Business Bank extension (2026-07-09), described as the Bank's largest life-sciences investment to date; ATLX-1282 (ALS) in clinical development and licensed to Eli Lilly; aims to grow its antibody dataset beyond one billion sequencesProfile
Labs Round 8 deep profile (31 Oct 2026), as the researchers wrote it; confidence: one source (all from the company; no second source opened). Sources | — (not stated in source) | uktech.news/biotech/alchemab-therapeutics-extend · alchemab.com/news/ · alchemab.com/about/ | one source |
| Cerella (Optibrium)Chips, models and products | Optibrium's AI platform that learns from a company's drug-discovery data to suggest which compounds to make next. liveKey facts Launched 2021; case study with Genentech listed on Optibrium siteMade by Optibrium · 2021 | Cambridge (via Optibrium) | optibrium.com/about-optibrium/ · optibrium.com/ | lab's own pages |
| chemSEEK (PharmEnable)Chips, models and products | PharmEnable's set of AI methods that match drug targets to molecules from its ChemUniverse virtual library. liveKey facts Spelt "ChemSeek" in 2020 sources and "chemSEEK" in 2024; works with ChemUniverse, a virtual database of chemically diverse moleculesMade by PharmEnable · 2024-12-10 | Cambridge (via PharmEnable) | ch.cam.ac.uk/news/pharmenable-raises-ps18-millio · enterprise.cam.ac.uk/case-studies/pharmenable-cr | lab's own pages |
| DaltonTxCompanies | London company building "Dalton", an AI decision engine that learns from every experiment to help drug discovery teams design small molecules and antibodies.Key facts £4m seed (2025-09-23); Dalton platform launched 2026-06-04; antibody discovery module launched 2026-10-01; Gates Foundation tuberculosis grant 2026-10-15; founded on University of Oxford research (Oxford University Innovation support); named in GOV.UK AI for Science Strategy (2025-11-20); 18 staff named on company siteProfile
Labs Round 8 deep profile (31 Oct 2026), as the researchers wrote it; confidence: verified (seed round: two investor pages plus trade); people and product one source (trade). Sources | London | daltontx.com/news/seed-financing · tech.eu/2025/09/23/daltontx-lands-ps4m-to-advanc · iqcapital.vc/news/daltontx-raises-ps4-million-se · redalpine.com/post/daltontx-the-intelligence-bac | verified |
| Dataverse (Isomorphic Labs)Chips, models and products | Isomorphic Labs' curated collection of life-science data that feeds its research environment. internal use (date not published)Key facts Named on the Isomorphic technology page (read 30 Oct 2026); no release date published.Made by Isomorphic Labs | London (EC2M 4AG) (via Isomorphic Labs) | isomorphiclabs.com/our-tech | one source |
| HealxCompanies · also on Start-ups | Cambridge company that uses AI to find treatments for rare diseases and runs its own clinical trials.Why it is here: builds its own generative AI drug-discovery engine for rare diseasesKey facts and news (2)
Labs Round 8 (31 Oct 2026), from the researchers' rows; one-source items are marked. | Cambridge (CB2 1LA) | Companies House · uktech.news/medtech/healx-series-c-round-2024080 · find-and-update.company-information.service.gov. · sifted.eu/articles/ai-drug-discovery-startups · find-and-update.company-information.service.gov. | verified |
| Isomorphic LabsCompanies | Builds AI models that design medicines, which it uses in its own drug programmes and in work with drug companies.Profile
Labs Round 7 deep profile (30 Oct 2026), as the researchers wrote it; confidence: verified (May 2026 round: company + UKTN); other fields single_source. Sources
Models and products (2)
Selected papers (2)
Key facts and news (9)
News
Labs Round 8 (31 Oct 2026), from the researchers' rows; one-source items are marked. | London (EC2M 4AG) | Companies House · isomorphiclabs.com/press/isomorphic-labs-funding · isomorphiclabs.com/articles/isomorphic-labs-anno · find-and-update.company-information.service.gov. · tech.eu/2026/05/13/isomorphic-labs-lands-2-1bn-i | verified |
| Isomorphic Labs Drug Design Engine (IsoDDE)Chips, models and products | Isomorphic Labs' combined computer system that predicts molecular structures, binding strength and binding pockets to design drugs. internal use (technical report)Key facts Previewed 10 Feb 2026 in a blog post and technical report; used by Isomorphic's own drug design teams. Figures (10 Feb 2026, as claimed): more than doubles AlphaFold 3's accuracy on a hard protein-ligand generalisation benchmark; antibody-antigen high-fidelity accuracy 2.3x AlphaFold 3 and 19.8x Boltz-2. 29 Sep 2026 post describes processes reshaped around it (agent-led search taking 2–4 days). Internal pipeline: oncology and immunology.Made by Isomorphic Labs · 2026-02-10Read the paper | London (EC2M 4AG) (via Isomorphic Labs) | isomorphiclabs.com/articles/the-isomorphic-labs- · isomorphiclabs.com/articles/building-a-new-path- | lab's own pages |
| OptibriumCompanies | Cambridge software company whose AI and machine-learning tools help chemists design and choose drug molecules.Key facts Founded 2009 by management buyout of the StarDrop business; Cerella AI platform launched 2021; 2023 Xenobiotica paper on quantum mechanics plus machine learning for metabolism prediction; BioPharmics joined 2023; US subsidiary in Cambridge, MA (2022); says over 200 drug-discovery teams use it; debt financing from Shawbrook 2025-07-08 (amount not disclosed); investors include Kester CapitalModels and products (1)
| Cambridge | Companies House · optibrium.com/about-optibrium/ · optibrium.com/about/news/optibriums-quantum-mech · find-and-update.company-information.service.gov. | verified |
| Oxford Drug DesignCompanies | Oxford University spin-out using its own machine-learning platform to design cancer drugs, first for lung and bowel cancer. unknown — latest source May 2022Key facts £2.2m ($2.7m) bridge round May 2022 from ACF Investors, o2h Ventures, Meltwind Advisory and US-based R42 Group; oncology focus (lung and colorectal) | Oxford (HQ not stated in sources) | Companies House · businesscloud.co.uk/news/cancer-fighting-spinout · startupsmagazine.co.uk/article-oxford-drug-desig | one source |
| PharmEnableCompanies | Cambridge chemistry spin-out using its own AI platform, chemSEEK, to design small-molecule drugs for hard targets.Key facts Spun out of the Yusuf Hamied Department of Chemistry 2016; £1.8m seed 2020 (Cambridge Enterprise lead); $7.5m (£6m) pre-Series A 2023-05-22 led by MP Healthcare (Mitsubishi Tanabe Pharma); focus oncology and neurologyModels and products (1)
| Cambridge | Companies House · enterprise.cam.ac.uk/case-studies/pharmenable-cr · uktech.news/medtech/pharmenable-pre-series-a-202 · find-and-update.company-information.service.gov. | verified |
| Ternary TherapeuticsCompanies · also on Start-ups | London start-up building an AI platform to design 'molecular glue' medicines.Why it is here: London start-up (founded 2024) whose AI models design molecular glues, retrained on its own lab results | London (NW1 3BF) | Companies House · uktech.news/medtech/biotech-building-molecular-g · find-and-update.company-information.service.gov. · find-and-update.company-information.service.gov. · find-and-update.company-information.service.gov. | verified |