London-based Isomorphic Labs, an AI-focused drug design and development company, has raised $600M (nearly €555.44M) in its first external funding round.
The round is led by Thrive Capital, with participation from GV (Google Ventures) and additional investment from existing investor Alphabet.
Dr. Krishna Yeshwant, Managing Partner at GV, says, “AI and machine learning have long held the promise of transforming drug discovery, yet few companies over the past decade have unlocked their full potential. After witnessing the extraordinary pace of innovation at Isomorphic Labs, we believe their pioneering approach will redefine AI-powered drug discovery.”
“With Sir Demis Hassabis at the helm, Isomorphic has assembled an exceptional team at the intersection of life sciences and technology. We’re proud to support them as they advance the development of new treatments for patients.”
Joshua Kushner, Founder and CEO of Thrive Capital, adds, “At Thrive, we aim to invest in category-defining companies with singular conviction, and that has led us to Isomorphic Labs.”
“We believe Isomorphic has earned a rare position to define a new age of drug discovery and design, and we are deeply inspired by their mission and the extraordinary progress they have made to date.”
Reimagining the entire drug discovery process
Founded in 2021 by Sir Demis Hassabis (co-founder of DeepMind), Isomorphic Labs uses AI to change the drug design process from basic principles. Its technology allows researchers to explore new chemical possibilities and tackle difficult targets more quickly and accurately.
The company has developed advanced AI models that work together as a comprehensive drug design engine, aiming to change how drugs are created and impact medicine.
Isomorphic Labs is a spin-off from Alphabet’s AI research division, Google DeepMind, with many team members involved in developing AlphaFold, an AI model for predicting protein structures.
The company applies DeepMind’s AI software, including AlphaFold, to drug discovery. In May 2024, Isomorphic Labs, in collaboration with Google DeepMind, introduced AlphaFold 3, an AI model that predicts molecular structures and interactions. This model became part of Isomorphic’s AI drug design engine, which operates across therapeutic areas and drug modalities.
The company expanded its operations with headquarters in London and an office in Lausanne, Switzerland. It established partnerships with pharmaceutical companies Eli Lilly and Novartis, applying AI to drug development. In 2025, Novartis and Isomorphic Labs expanded their collaboration.
Alongside its partnerships, Isomorphic Labs developed internal programmes focused on oncology and immunology. The company continues to integrate AI into drug design with the goal of improving treatment development.
Capital utilisation
Isomorphic Labs will use the funds to advance its AI research and development, focusing on its next-generation AI drug design engine. The company will also expand its team as part of its next phase of growth.
Sir Demis Hassabis, founder and CEO of Isomorphic Labs, says, “We’re excited to bring together a top-tier investor group with deep AI and life sciences expertise as we aim to transform this industry through an interdisciplinary approach.”
“This funding will further turbocharge the development of our next-generation AI drug design engine, help us advance our own programs into clinical development, and is a significant step forward towards our mission of one day solving all disease with the help of AI.”
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