Numerate, a computational drug design company applying artificial intelligence (AI) at cloud scale to transform small molecule drug discovery, announced the formation of a multi-year agreement with Takeda Pharmaceutical under which Numerate will identify and deliver multiple clinical candidates.

Under the agreement, Numerate will drive discovery programs aimed at identifying clinical candidates for use in Takeda’s core therapeutic areas: oncology, gastroenterology, and central nervous system disorders. The projects will rely on Numerate leveraging its AI-driven platform, from hit finding and expansion through lead design/optimization and ADME (absorption, distribution, metabolism and excretion)/toxicity modeling.

“This is an ideal arrangement for Numerate because our team will be working largely independently while having the opportunity to leverage Takeda’s global experience, therapeutic area insights, and unique R&D capabilities,” said Guido Lanza, president and CEO of Numerate. “We expect to produce multiple clinical candidates, while also continuing to refine, validate and expand our proprietary AI-driven platform as we work across a broad range of target types and drug design challenges.”

Financial terms of the current agreement were not disclosed, but include a combination of milestone payments and royalties that reflect the value of the clinical candidates being delivered.

“We are excited to partner with Numerate. Numerate has established an impressive track record of leveraging their AI platform to overcome drug design challenges, both for its own pipeline and in pharma/biotech collaborations,” said David Weitz, head of Takeda California and Global Research Externalization. “By having Numerate select projects that align with Takeda’s strategy we expect the partnership to yield multiple assets that Takeda can develop into truly transformative medicines for patients.”