ProfhEX

AI-based platform for small molecules polypharmacology profiling

Drug polypharmacology is crucial to the success or failure of candidate compounds in drug discovery. Understanding how a compound interacts with various targets helps predict its therapeutic potential and minimize risks early in development.

ProfhEX an AI-powered platform, profiles small molecules across 693 relevant targets, enabling polypharmacology analysis, liability profiling (off-targets), and drug repurposing.

Users can upload molecules in SMILES format to receive downloadable activity profiles and summary reports. All models are OECD-compliant and accessible in the Models section. Available models can be browsed in the Models section.

AI

Deep Learning

Analysis

Submit Your File

To run ProfhEX, either paste a SMILES string -
Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4
OR
upload a .csv,.txt,.smi file containing one SMILES per row ( for a template)

Once calculations are completed, results can be analyzed and downloaded.

Please note that the maximum number of processed molecules caps at 100 ^(*) (exceeding rows are ignored).

This work is licensed under a Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License.

Available models can be selected in the drop-down list or browsed in the treemap visualization. The report displays key model quality information:

Training set size and pK property distribution
External validation performance
Internal validation evaluation

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ProfhEX

AI-based platform for small molecules polypharmacology profiling

AI

Deep Learning

Analysis

Protein Families

Activity Type

Submit Your File

Contacts

Email

Send us an email

Web Site

www.exscalate.eu