Draw a structure or paste a SMILES string. Retrieval returns the proteins its nearest co-crystal neighbors were solved against, ranked by pharmacophore similarity, in about a second.
Retrieval runs two arms over the whole index. The PharmCast arm compares the three-dimensional pharmacophore fingerprint; the Morgan arm compares the 2,048 bit circular fingerprint that PharmCast reads as its own input. Each keeps every indexed ligand at or above its own cutoff, and a protein enters the candidate list when either arm keeps the ligand it was solved with. The two lists are merged and each protein appears once, labelled with the arm or arms that found it.
The two cutoffs are separate because the scales are: on one identical retrieval the arms score 0.901 and 0.632, so a single box would mean two different things and quietly switch one arm off. How deep to search is a shortcut that sets both boxes to a measured pair; move either box and it says custom. Its protein counts are what the benchmark saw on average: 3,000 held-out queries against a panel of 28,579 proteins, scaffold separated, so a molecule could never be found through a close relative of itself. Your own query will differ, because how many ligands clear a cutoff depends on the molecule, not on the setting. Lower cutoffs keep more ligands, so more proteins, and cost no extra time to retrieve — only to dock.
Screen uses the drawing, and it is free and instant. Docking comes later, from the drill-down, and arrives by email. The name is optional.