Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 20/20 | 0.50 |
| ▸ | ITGA2B | P08514 | 18/20 | 0.50 |
| ▸ | ITGAV | P06756 | 8/20 | 0.50 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8454937 | 0.89 | ITGB3 (0.44) | ITGB3ITGA2BITGAV | |
| SCHEMBL7403276 | 0.88 | ITGB3 (0.55) | ITGB3ITGA2BITGAV | |
| SCHEMBL7920936 | 0.86 | ITGB3 (0.67) | ITGB3ITGA2BITGAV | |
| Trifluoroacetic Acid SCHEMBL8804697 | 0.83 | ITGB3 (0.60) | ITGB3ITGA2BITGAV | |
| SCHEMBL8459092 | 0.80 | ITGAV (0.56) | ITGB3ITGA2BITGAV | |
| SCHEMBL7490103 | 0.79 | ITGB3 (0.53) | ITGB3ITGA2BITGAV | |
| SCHEMBL8903718 | 0.79 | ITGB3 (0.53) | ITGB3ITGA2BITGAV | |
| SCHEMBL7487509 | 0.78 | ITGB3 (0.81) | ITGB3ITGA2BITGAV | |
| SCHEMBL7490739 | 0.77 | ITGB3 (0.58) | ITGB3ITGA2BITGAV | |
| SCHEMBL7403069 | 0.76 | ITGB3 (0.69) | ITGB3ITGA2BITGAV |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0760658-A4 | COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION | MERCK & CO INC (US) | 1997-09-17 | — | — | EP | disclosed |
| EP-0760658-A1 | COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION | MERCK & CO. INC. (US) | 1997-03-12 | — | — | EP | disclosed |
| WO-1995032710-A1 | COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION | MERCK & CO., INC. (US) | 1995-12-07 | — | — | WO | disclosed |