Thomson Reuters

The Prous Science Integrity® Predictive Pharmacology Module provides an expert, scientifically-based insight into the probable mechanisms of action of thousands of bioactive compounds.

The system is available as a unique, pre-calculated database listing three potential mechanisms for nearly 100,000 lead compounds with chemical structures in Prous Science Integrity. Each potential mechanism of action is accompanied by a graphic showing the molecules that support the mechanism predicted.

Using the Predictive Pharmacology Module, you can speed up your experimental research — confidently selecting probable new medicines and finding new indications for your existing drugs — find new areas of research, and quickly explore new ideas.

With Prous Science Integrity Predictive Pharmacology Module, you can:

• Discover new mechanisms of action for known compounds
• Discriminate between active and inactive compounds
• Develop drug repurposing strategies
• Validate new drug discovery hypotheses
• Reveal mechanisms of action that may underlie adverse effects
• Study the pleiotropic effects of established drug groups

Why choose Prous Science Integrity Predictive Pharmacology Module?

• Based on robust technology developed at the Prous Institute for Biomedical Research, an established, state-of-the-art research organization focused on experimental and data-mining methods
• Developed using an extensive training set of compounds, covering more than 400 molecular mechanisms of action
• Values such as logP, Van der Waals surface area, and Lipinski Rule of 5 components are available for every lead compound in the Prous Science Integrity database

• Predictive Pharmacology — gives you a means of discovering unknown mechanisms of action for compounds with a demonstrated therapeutic effect. You can discriminate between active and inactive compounds for specific pharmacological activities. You can determine areas in which you may be able to repurpose recently patented and established compounds, finding possible additional uses in a matter of minutes. By finding active molecules similar to your candidate, you can predict whether yours will have the same beneficial effect.
• Discovery Maps — enables you to analyze the data graphically, finding relationships between validated mechanisms of action or therapeutic groups and potential mechanisms of action. It can help you to discover unknown relationships between molecular mechanisms of action, new applications for groups of compounds, and to analyze potential adverse effects.
• Molecular Datacenter — enables you to search for and display constitutional, topological, and physicochemical property descriptors and pharmacophore features, alone or in combination with other product characteristics.