title: Drug repositioning using in silico compound profiling.
abstract: BACKGROUND
  Drug repositioning is a current strategy to find new uses for existing drugs, patented or not, and for late-stage candidates that failed for lack of efficacy.
  
  
  RESULTS
  In silico profiling of several marketed drugs (methadone, rapamycin, saquinavir and telmisartan) was performed, exploiting a vast amount of published information. Similar compounds were assessed in terms of target-activity profiles for major drug-target families. In silico profiles were visualized within an interactive heat map and detailed analysis was performed associated with the accessible current knowledge.
  
  
  CONCLUSIONS
  Based on a basic principle assuming that similar molecules share similar target activity, new potential targets and, therefore, opportunities of potential new indications have been identified and discussed.
authors.affiliation: Aureus Pharma, 174 Quai de Jemmapes, 75010 Paris, France. elodie.dubus@aureus-pharma.com
authors.forename: Elodie
authors.initials: E
authors.lastname: Dubus
authors.forename: Ismail
authors.initials: I
authors.lastname: Ijjaali
authors.forename: Olivier
authors.initials: O
authors.lastname: Barberan
authors.forename: François
authors.initials: F
authors.lastname: Petitet
mesh_terms: D001562:Benzimidazoles / Q000737:chemistry; D001565:Benzoates / Q000737:chemistry; D016208:Databases, Factual; D058492:Drug Repositioning; D008691:Methadone / Q000737:chemistry; D043587:Receptor, Muscarinic M3 / Q000037:antagonists & inhibitors / Q000378:metabolism; D018160:Receptors, Cytoplasmic and Nuclear / Q000037:antagonists & inhibitors / Q000378:metabolism; D011964:Receptors, Gastrointestinal Hormone / Q000819:agonists / Q000378:metabolism; D018041:Receptors, Neurokinin-2 / Q000037:antagonists & inhibitors / Q000378:metabolism; D018013:Receptors, Neuropeptide / Q000819:agonists / Q000378:metabolism; D019258:Saquinavir / Q000737:chemistry; D020123:Sirolimus / Q000737:chemistry; D000077333:Telmisartan; D000099150:Receptor, Farnesoid X-Activated
chemical_list: D001562:Benzimidazoles; D001565:Benzoates; D008691:Methadone; D043587:Receptor, Muscarinic M3; D018160:Receptors, Cytoplasmic and Nuclear; D011964:Receptors, Gastrointestinal Hormone; D018041:Receptors, Neurokinin-2; D018013:Receptors, Neuropeptide; D019258:Saquinavir; D020123:Sirolimus; D000077333:Telmisartan; D000099150:Receptor, Farnesoid X-Activated; C050802:motilin receptor