Input a SMILES code for a query molecule above (default is indomethacin). Then click 'Fingerprint Mols' below to parse the SMILES codes of drug-like PDB mols and fingerprint them (it only needs to be pressed once, and takes 15-20s). Afterward, click 'Calculate Similarities' to populate a table of the PDB molecules ordered by similarity to the query. You can change the query and repopulate the table without fingerprinting again.
Below the table, click "Show Pics" to view the top-12 most-similar compounds. You'll need to update these when after recalculating similarities for a new query.