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Swiss Institute of Bioinformatics
Results page:This page shows the predicted targets. The confidence score indicates the probability of the target to be a true positive (based on cross-validation analysis in ChEMBL for human protein ligands). Probabilities equal to one often indicate that the query molecule is actually a known ligand.
The ligands of each target displaying the largest similarity to the query molecule according to both 2D and 3D similarity measures can be browsed by following the corresponding link in the column '# sim. cmpds' (numbers indicate the number of such ligands).
Target are classified in the last column based on their classes (e.g., Enzyme, Transcription factor...), which are summarized in a pie chart (click on the image below to see the full result page).
Targets predicted based on homology (i.e. the query molecule is similar to ligands of an ortholog/paralog) are indicated with '(by homology)'.
Clickable page snapshot