AI drug design and development company Isomorphic Labs has secured $2.1bn in Series B funding to expedite its transition from developing innovative AI models to deploying them on a larger scale.

The round was led by Thrive Capital, with participation from existing investors Alphabet and GV, as well as new investors CapitalG, MGX, Temasek, and the UK Sovereign AI Fund. This significantly broadens Isomorphic Labs’ global capital support.

The proceeds will also be used to further develop and deploy Isomorphic Labs’ AI drug design engine, IsoDDE, and accelerate its pipeline of therapeutic programmes toward clinical stages.

Additionally, the funding will be used to support hiring by integrating AI, clinical talent, drug design, and engineering and across all sites. The aim is to expand both geographic and scientific reach to address complex biological and medical challenges globally.

Isomorphic Labs president Max Jaderberg said: “This milestone is built on the strength of our AI drug design engine, which has already proven its worth across our internal programmes by hitting key milestones and identifying viable candidates with unprecedented speed.

“Our drug design engine works, and it's giving us a repeatable way to design new medicines for a wide range of diseases, building a future of medicine that was previously out of reach.”

Isomorphic Labs has developed several breakthrough AI models forming the unified IsoDDE engine, supporting work across multiple therapeutic areas and drug modalities.

Recently published findings highlight IsoDDE’s predictive performance and its expanding capabilities in structure prediction and real-world discovery, offering new accuracy in navigating biological systems.

Strategic collaborations with Novartis, Johnson & Johnson, and Lilly validate Isomorphic Labs’ AI-driven approach and the value it contributes to pharmaceutical development.

In March 2025, Isomorphic Labs raised $600m in its first external funding to advance AI-driven drug discovery.