Insilico Medicine
AI that took a drug from concept to Phase III — now backed by Lilly.
Overview
Insilico Medicine is a clinical-stage AI-driven biopharmaceutical company that uses its Pharma.AI platform — comprising PandaOmics (target discovery), Chemistry42 (generative molecular design), and InClinico (clinical trial prediction) — to compress the drug discovery timeline. Its flagship asset, rentosertib (ISM001-055), is the first drug wholly discovered and designed by generative AI to reach human trials; it moved from project start to Phase 2 for idiopathic pulmonary fibrosis (IPF) in under 30 months, and as of July 7, 2026 has advanced into a pivotal Phase III trial — the furthest any AI-conceived molecule has gotten in drug development. Phase IIa results published in Nature Medicine (June 2025) showed a meaningful improvement in forced vital capacity at the highest dose versus placebo.
Founded in 2014 by Alex Zhavoronkov, Insilico is headquartered jointly in Cambridge, Massachusetts and Hong Kong, with additional operations in Shanghai, Montreal, and Abu Dhabi. It listed on the Hong Kong Stock Exchange (HKEX: 3696) in December 2025, raising roughly $293 million in the territory's largest biotech IPO that year, with Temasek and Eli Lilly among its cornerstone investors. Thirteen of the top twenty global pharma companies license its software, and in March 2026 Lilly expanded its relationship into a $2.75 billion R&D and licensing deal ($115 million upfront) covering a slate of AI-discovered oral therapeutics still in preclinical development.
Pricing
Pricing shown for reference only. These figures reflect RECATOOLS research as of 11 Jul 2026 and may be out of date or incomplete. This is not financial or purchasing advice — always confirm the current price on the provider’s official website before making any decision.
- Chemistry42 access by application
- For non-commercial research
- Grant approval required
- SaaS or on-premise deployment
- Generative AI + physics-based design
- Part of the Pharma.ai suite
- Full Pharma.ai suite
- Discovery sprints as a service
- Milestone-based partnership deals
Use cases
What you can produce with Insilico Medicine
- Novel small-molecule drug candidates generated and scored against ADMET and selectivity criteria
- Ranked therapeutic target lists with disease-relevance scoring from multi-omics datasets
- Binding free energy predictions and kinome selectivity profiles for lead series compounds
- Clinical trial design recommendations and probability-of-success estimates
- AI-generated retrosynthesis routes to assess synthetic feasibility of designed molecules
- Out-licensing or co-development agreements with pharma partners (cumulative deal value: $4.6 billion as of 2025)
- Published peer-reviewed science validating AI-discovered candidates (e.g., Nature Medicine Phase IIa publication, 2025)
ASEAN Perspective
Insilico Medicine in Southeast Asia
Insilico Medicine holds a strategically important position in the ASEAN-APAC region, with its HKEX listing (December 2025) marking the first AI drug-discovery company to go public on a major Asian exchange and drawing cornerstone investment from Temasek (Singapore's sovereign fund) alongside Eli Lilly and Tencent. Phase IIa clinical sites were run across China, and the company maintains research operations in Hong Kong and Abu Dhabi, with active regulatory engagement under China's CDE for an inhaled rentosertib formulation. For ASEAN biopharma companies and research institutions, Insilico represents a compelling regional proof that Asia-headquartered AI drug companies can lead, not merely follow, global R&D — though direct ASEAN-country partnerships (Singapore, Malaysia, Indonesia) remain limited as of mid-2026, and the enterprise pricing model places the platform beyond reach of most regional academic labs.
Insilico Medicine holds a lead no other AI-native drug company currently matches: a molecule it designed from scratch has reached Phase III, with published peer-reviewed efficacy data behind it. The Pharma.AI stack — PandaOmics for targets, Chemistry42 for molecular design, InClinico for trial prediction — spans the whole discovery chain, and the client roster (13 of the top 20 pharma firms) plus the $2.75 billion Lilly deal show the industry takes it seriously, not just the press releases.
The catch is access and proof. Pharma.AI is priced for big pharma, not independent labs. Phase IIa data for rentosertib came from a 71-patient, 12-week, China-only trial — encouraging, but Phase III, now underway as of July 2026, is where AI-first drug discovery either earns its reputation or doesn't. Wet-lab validation and model interpretability remain open questions industry-wide.
What people say
Insilico Medicine's biggest argument for itself isn't a review score — it's a Nature Medicine paper. Rentosertib, an inhaled TNIK inhibitor for idiopathic pulmonary fibrosis, is the first drug whose target, structure, and trial design were all generated by AI, and as of July 7, 2026 it's dosing patients in a pivotal Phase III trial — a first for the category, and the reason Eli Lilly expanded its relationship into a $2.75 billion R&D and licensing deal in March 2026, with $115 million paid upfront.
The company backs the science with capital: a December 2025 Hong Kong listing (HKEX: 3696) raised roughly $293 million, the largest biotech IPO on the exchange that year, with Temasek among the cornerstone investors alongside Lilly and Tencent. Thirteen of the top twenty global pharma companies already license pieces of the Pharma.AI stack — PandaOmics for target discovery, Chemistry42 for molecule generation, InClinico for trial-outcome prediction — which is a different customer base than most "AI for biotech" startups can claim.
None of this makes Pharma.AI something a small lab or academic group can just sign up for. It's enterprise software sold on relationship terms, not self-serve SaaS, and the Phase IIa data behind rentosertib — genuinely positive on forced vital capacity — came from a single-country, 71-patient study. Phase III, now underway, is the trial that actually tests whether AI-designed drugs work at scale rather than in a press release. Regional relevance is growing rather than established: the Hong Kong listing and Stock Connect eligibility give it Asian capital-markets exposure, but clinical and commercial deployment remains concentrated in the US and China for now.
Summary of public user & expert reviews, compiled by RECATOOLS.
Notable facts
- Rentosertib's preclinical candidate was selected in just 18 months using AI, at an estimated cost of only $150,000 — a tiny fraction of traditional drug discovery budgets.
- Insilico's Hong Kong IPO in December 2025 was oversubscribed by approximately 1,427 times by retail investors.
- Eli Lilly and Tencent both made their first-ever cornerstone investments in a biotech company through Insilico's IPO.
- The inhaled formulation of rentosertib received IND clearance in 2025, making it potentially the world's first AI-designed drug to enter a direct-to-lung clinical study.
Frequently asked questions
About this listing
This entry was compiled from publicly available data including Insilico Medicine's official website, press releases, documentation, and reputable third-party publications. RECATOOLS is not affiliated with Insilico Medicine unless explicitly stated.
Third-party AI tools update their pricing, features, availability, and policies frequently. Information here may be outdated by the time you read this — we make reasonable efforts to keep listings current, but cannot guarantee absolute accuracy.
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