Computer-aided prediction of the biological activity spectra by the program
PASS was applied to a set of 130 pharmaceuticals from the list of the Top
200 medicines. The known pharmacological effects were found in the predicte
d activity spectra in 93.2% of cases. Additionally, the probability of some
supplementary effects was also predicted to be significant, including angi
ogenesis inhibition, bone formation stimulation, possible use in cognition
disorders treatment, multiple sclerosis treatment, etc. These predictions.
if confirmed experimentally, may become a cause for a new application of ph
armaceuticals from the Top 200 list. Most of known side and toxic effects w
ere also predicted by PASS. PASS predictions at earlier R & D stages may th
us provide a basis for finding new "leads" among already launched drugs and
may help direct more attention to those particular effects of pharmaceutic
als in clinical use which become apparent only in a small part of the popul
ation and require additional precautions.