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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 3/20 | 0.58 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.58 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | FPR2 | P25090 | 7/20 | 0.32 |
| ▸ | FPR1 | P21462 | 4/20 | 0.32 |
| ▸ | PRSS1 | P07477 | 2/20 | 0.31 |
| ▸ | PRSS2 | P07478 | 2/20 | 0.31 |
| ▸ | PRSS3 | P35030 | 2/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8093830 | 0.98 | ITGB3 (0.60) | ITGB3ITGA2BHDAC6FPR2FPR1 | |
| Acetic Acid SCHEMBL7445840 | 0.92 | ITGB3 (0.69) | ITGB3ITGA2BHDAC6FPR2FPR1 | |
| Acetic Acid SCHEMBL7450947 | 0.91 | ITGB3 (0.55) | ITGB3ITGA2BHDAC6FPR2FPR1 | |
| Acetic Acid SCHEMBL7448074 | 0.90 | ITGB3 (0.60) | ITGB3ITGA2BHDAC6FPR2FPR1 | |
| SCHEMBL7447038 | 0.90 | ITGB3 (0.72) | ITGB3ITGA2BHDAC6FPR2FPR1 | |
| SCHEMBL7455651 | 0.89 | ITGB3 (0.57) | ITGB3ITGA2BHDAC6FPR2FPR1 | |
| SCHEMBL7447482 | 0.89 | ITGB3 (0.61) | ITGB3ITGA2BHDAC6FPR2FPR1 | |
| SCHEMBL7450577 | 0.88 | ITGB3 (0.59) | ITGB3ITGA2BHDAC6FPR2FPR1 | |
| SCHEMBL7450950 | 0.88 | ITGB3 (0.63) | ITGB3ITGA2BHDAC6FPR2FPR1 | |
| SCHEMBL7446910 | 0.88 | ITGB3 (0.57) | ITGB3ITGA2BHDAC6FPR2FPR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6025358-A | Double prodrugs of potent GP IIb/IIIa antagonists | G. D. SEARLE & CO. (US) | 2000-02-15 | — | — | US | disclosed |
| WO-1999064397-A1 | DOUBLE PRODRUGS OF POTENT GPIIb/IIIa ANTAGONISTS | G.D. SEARLE & CO. (US) | 1999-12-16 | — | — | WO | disclosed |