Xeureka and Sumitomo Pharma Conclude Joint Research Agreement on Small Molecule Drug Discovery
Xeureka Inc. and Sumitomo Pharma Co., Ltd. have signed a joint research agreement for small molecule drug discovery. This collaboration aims to create new drug candidates by designing and evaluating novel small molecule compounds targeting specific targets identified by Sumitomo Pharma. Xeureka will leverage its advanced computational drug discovery technologies, including its proprietary Free Energy Perturbation program "Xeureka FEP" and molecular generation tool "XE-Generator." Xeureka continues to support pharmaceutical and biotech companies by enhancing drug discovery efficiency and success rates through AI and large-scale molecular dynamics simulations.
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- 📰 Published: April 3, 2026 at 00:00
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Xeureka Inc. (Minato-ku, Tokyo; President: Taisei Nagae; hereinafter "Xeureka") has concluded a joint research agreement with Sumitomo Pharma Co., Ltd. (Osaka Prefecture; President: Toru Kimura; hereinafter "Sumitomo Pharma") regarding small molecule drug discovery.
In this joint research, both companies will design and evaluate new small molecule compounds for targets identified by Sumitomo Pharma, according to their respective roles, aiming to create novel drug candidate compounds.
Xeureka will promote this joint research by utilizing its advanced computational drug discovery technologies, including its independently developed Free Energy Perturbation* program "Xeureka FEP" and molecular generation tool "XE-Generator**."
Based on its large-scale supercomputers and unique computational drug discovery technologies, Xeureka provides drug discovery support services that utilize various computational methods such as AI and large-scale molecular dynamics simulations. Moving forward, Xeureka will continue to meet the diverse needs of pharmaceutical and biotech companies, contributing to significant improvements in the efficiency and success rate of drug discovery research.
* Free Energy Perturbation: A statistical mechanics-based method for calculating the free energy change associated with ligand-protein binding, and one of the means to predict activity with high accuracy.
**XE-Generator: A molecular generation tool independently developed by Xeureka. In addition to common methods such as Matched Molecular Pair (MMP)-based structural transformation, bioisostere substitution, and reaction-based molecular generation, it is centered around over 6,000 structural transformation rules meticulously constructed by experienced medicinal chemists based on their experience and knowledge gained in drug discovery. This enables the comprehensive generation of thousands to hundreds of thousands of practical compound structures starting from an input structure.
【Xeureka Inc. Overview】
Location: 3-2-2 Toranomon, Minato-ku, Tokyo
Representative: Taisei Nagae
Established: November 2021
Shareholder: Mitsui & Co., Ltd. (100%)
Business Activities: Providing AI drug discovery support services and computational environments (supercomputers) to pharmaceutical and biotech companies, and promoting joint research and development for drug discovery.
URL: https://xeureka.co.jp/
【Sumitomo Pharma Co., Ltd. Overview】
Location: 2-6-8 Doshomachi, Chuo-ku, Osaka
Representative: Toru Kimura
Established: May 1897
Business Activities: Manufacturing and sales of ethical pharmaceuticals, etc.
URL: https://www.sumitomo-pharma.co.jp/
In this joint research, both companies will design and evaluate new small molecule compounds for targets identified by Sumitomo Pharma, according to their respective roles, aiming to create novel drug candidate compounds.
Xeureka will promote this joint research by utilizing its advanced computational drug discovery technologies, including its independently developed Free Energy Perturbation* program "Xeureka FEP" and molecular generation tool "XE-Generator**."
Based on its large-scale supercomputers and unique computational drug discovery technologies, Xeureka provides drug discovery support services that utilize various computational methods such as AI and large-scale molecular dynamics simulations. Moving forward, Xeureka will continue to meet the diverse needs of pharmaceutical and biotech companies, contributing to significant improvements in the efficiency and success rate of drug discovery research.
* Free Energy Perturbation: A statistical mechanics-based method for calculating the free energy change associated with ligand-protein binding, and one of the means to predict activity with high accuracy.
**XE-Generator: A molecular generation tool independently developed by Xeureka. In addition to common methods such as Matched Molecular Pair (MMP)-based structural transformation, bioisostere substitution, and reaction-based molecular generation, it is centered around over 6,000 structural transformation rules meticulously constructed by experienced medicinal chemists based on their experience and knowledge gained in drug discovery. This enables the comprehensive generation of thousands to hundreds of thousands of practical compound structures starting from an input structure.
【Xeureka Inc. Overview】
Location: 3-2-2 Toranomon, Minato-ku, Tokyo
Representative: Taisei Nagae
Established: November 2021
Shareholder: Mitsui & Co., Ltd. (100%)
Business Activities: Providing AI drug discovery support services and computational environments (supercomputers) to pharmaceutical and biotech companies, and promoting joint research and development for drug discovery.
URL: https://xeureka.co.jp/
【Sumitomo Pharma Co., Ltd. Overview】
Location: 2-6-8 Doshomachi, Chuo-ku, Osaka
Representative: Toru Kimura
Established: May 1897
Business Activities: Manufacturing and sales of ethical pharmaceuticals, etc.
URL: https://www.sumitomo-pharma.co.jp/
FAQ
What kind of joint research agreement did Xeureka and Sumitomo Pharma conclude?
They concluded a joint research agreement on small molecule drug discovery.
What is the purpose of the joint research?
The purpose is to create novel drug candidate compounds by designing and evaluating new small molecule compounds for targets identified by Sumitomo Pharma.
What technologies will Xeureka use to promote the joint research?
Xeureka will utilize its advanced computational drug discovery technologies, including its proprietary Free Energy Perturbation program "Xeureka FEP" and molecular generation tool "XE-Generator."