Also known as: Isomorphic Labs
Isomorphic Labs is an AI-first drug discovery company that applies advanced AI models to accelerate and improve medicine design. Founded in 2021 and headquartered in London, it combines Google DeepMind AI capabilities with pharmaceutical R&D expertise. The company positions itself around developing a world-class drug-design engine to help advance therapeutics.
AI is transforming drug discovery across target ID, molecule design and trial optimization. Milestones include regulatory qualification of digital-twin controls and positive Phase 2a data, though 90-95% of candidates still fail.
The global CNS therapeutics market was valued at USD 127.29 billion in 2025 and is projected to reach USD 285.72 billion by 2035, driven by demand for Alzheimer’s and Parkinson’s treatments. North America held 45% of the market; neurodegenerative diseases were the largest segment. Private investment and trends toward biologics and AI are shaping the sector.
Novo Nordisk partners with OpenAI to speed drug discovery, with pilots by 2026. AI is moving beyond hype into pharma R&D, reflected in major collaborations and new FDA guidance.
AI-driven studies are advancing cancer drug discovery across multiple tumor types, including a pan-cancer proposal of AMG-900, a novel gp130 inhibitor for colorectal cancer, and the Kinic Index for hepatocellular carcinoma. Machine learning is also being integrated into computational platforms like Isomorphic Labs' IsoDDE to model molecular interactions.
Isomorphic Labs said one AI-designed drug, ISM8969, has FDA clearance for human clinical trials. The company’s initial pipeline focuses on oncology candidates.
Novartis chief executive Vas Narasimhan has joined Anthropic’s board. The appointment adds a pharma executive as Anthropic expands into drug discovery and launches Claude for Life Sciences.
Global pharmaceutical R&D deal values surged 49% to $86.7 billion in 2025 as companies concentrate investments in AI-powered drug discovery platforms, with average deal sizes reaching a record $1.16 billion despite fewer total partnerships.
Isomorphic Labs released a 27-page technical report on IsoDDE, its new AI drug-discovery engine that outperforms existing models in predicting drug-protein interactions and antibody structures, but the proprietary system offers limited technical details.
Isomorphic Labs introduced IsoDDE, a drug discovery engine that outperforms AlphaFold 3 by a factor of two in prediction accuracy. Google also updated Gemini 3 Deep Think, which now outperforms competing models in complex scientific tasks.
