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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 19/20 | 0.57 |
| ▸ | ITGA2B | P08514 | 17/20 | 0.57 |
| ▸ | ITGAV | P06756 | 6/20 | 0.57 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1802005 | 0.98 | ITGB3 (0.59) | ITGB3ITGA2BITGAVHDAC8 | |
| Hydrochloric Acid SCHEMBL7414512 | 0.97 | ITGB3 (0.58) | ITGB3ITGA2BITGAVHDAC8 | |
| SCHEMBL7406396 | 0.93 | ITGB3 (0.60) | ITGB3ITGA2BITGAVHDAC8 | |
| SCHEMBL7698652 | 0.92 | ITGB3 (0.52) | ITGB3ITGA2BITGAVHDAC8 | |
| SCHEMBL7217041 | 0.86 | ITGB3 (0.62) | ITGB3ITGA2BITGAV | |
| SCHEMBL7216195 | 0.86 | ITGB3 (0.62) | ITGB3ITGA2BITGAV | |
| SCHEMBL7416204 | 0.83 | ITGB3 (0.53) | ITGB3ITGA2BITGAV | |
| SCHEMBL4835350 | 0.82 | ITGB3 (0.60) | ITGB3ITGA2BITGAV | |
| SCHEMBL4918524 | 0.82 | ITGB3 (0.60) | ITGB3ITGA2BITGAV | |
| SCHEMBL7216236 | 0.81 | ITGB3 (0.55) | 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 |
|---|---|---|---|---|---|---|---|
| US-6492356-B1 | Acylguanidine derivatives as inhibitors of bone resorption and as vitronectin receptor antagonists | AVENTIS PHARMA DEUTSCHLAND GMBH (DE) | 2002-12-10 | — | — | US | disclosed |
| EP-1042301-B1 | NOVEL ACYLGUANIDINE DERIVATIVES AS INHIBITORS OF BONE RESORPTION AND AS VITRONECTIN RECEPTOR ANTAGONISTS | AVENTIS PHARMA GMBH (DE) | 2002-11-20 | — | — | EP | disclosed |
| EP-0933367-A1 | Novel acylguanidine derivates as inhibitors of bone resorption and as vitronectin receptor antagonists | Hoechst Marion Roussel Deutschland GmbH (DE) | 1999-08-04 | — | — | EP | disclosed |