ChemoProfiling MOA (Mechanism Of Action)

ChemoProfiling MOA infers statistical patterns (from screening results) to provide quantitative rationale to elucidate mechanisms of drug action in phenotypic assay .

INPUT:

To use ChemoProfiling you need to prepare 2 text files with SMILES of screened molecules. First file should have SMILES of molecules classified as active in your screen. Second file should have SMILES of molecules classified as inactive in your screen.

ChemoProfiling will do:

STEP 1: compound annotation

Input molecules are annotated with experimentally confirmed targets by mining publicly available screening data (see Data Integration for details).

STEP 2: inference of targets (pathways) significantly enriched in active compounds

Target enrichment indicates that there is significant statistical link between the ability of a molecule to modulate the protein and the chances of a molecule to produce phenotypic transformation in your screen.

STEP 3: inference of multi-targets significantly enriched in active molecules

Multi-target enrichment indicates that there is significant statistical link between the ability of a molecule to modulate the duplet (triplet) of proteins and the chances of a molecule to produce phenotypic transformation in your screen.

STEP 4: target/pathway safety risk profile

ChemoProfiling provides automatic links to PHENOTHERA to assess target/pathway performance across variety of phenotypical screens.

Submit your data.