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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 19/20 | 0.68 |
| ▸ | ITGA2B | P08514 | 19/20 | 0.68 |
| ▸ | ITGA2 | P17301 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7427864 | 0.98 | ITGB3 (0.70) | ITGB3ITGA2BITGA2KDM4EALDH1A1 | |
| Acetic Acid SCHEMBL7334578 | 0.92 | ITGB3 (0.60) | ITGB3ITGA2BITGA2KDM4EALDH1A1 | |
| Acetic Acid SCHEMBL7358601 | 0.91 | ITGB3 (0.70) | ITGB3ITGA2BITGA2 | |
| Acetic Acid SCHEMBL7331206 | 0.90 | ITGB3 (0.56) | ITGB3ITGA2BITGA2KDM4EALDH1A1 | |
| SCHEMBL7428653 | 0.88 | ITGB3 (0.66) | ITGB3ITGA2BITGA2KDM4EALDH1A1 | |
| SCHEMBL7326457 | 0.87 | ITGB3 (0.56) | ITGB3ITGA2BITGA2 | |
| SCHEMBL7420712 | 0.86 | ITGB3 (0.64) | ITGB3ITGA2BITGA2KDM4EALDH1A1 | |
| Acetic Acid SCHEMBL9318257 | 0.85 | ITGB3 (0.62) | ITGB3ITGA2BITGA2KDM4E | |
| Acetic Acid SCHEMBL7334226 | 0.84 | ITGB3 (0.56) | ITGB3ITGA2BITGA2KDM4EALDH1A1 | |
| SCHEMBL7426008 | 0.84 | ITGB3 (0.63) | ITGB3ITGA2BITGA2KDM4E |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5674863-A | BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR | GENENTECH, INC. (US) | 1997-10-07 | — | — | US | disclosed |
| US-5674865-A | BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR | GENENTECH, INC. (US) | 1997-10-07 | — | — | US | disclosed |
| US-5663166-A | ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING | GENENTECH, INC. (US) | 1997-09-02 | — | — | US | disclosed |
| US-5565449-A | PLATELET AGGREGATION INHIBITORS | GENENTECH, INC. (US) | 1996-10-15 | — | — | US | disclosed |
| EP-0610334-B1 | NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR | GENENTECH INC (US) | 1996-01-24 | — | — | EP | disclosed |