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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.45 |
| ▸ | ITGA2B | P08514 | 7/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL8631159 | 1.00 | HRH3 (0.50) | HRH3MEN1KMT2ACYP2C9TSHR | |
| SCHEMBL7400261 | 0.81 | HRH3 (0.47) | HRH3MEN1KMT2ACYP2C9TSHR | |
| SCHEMBL7399593 | 0.81 | HRH3 (0.47) | HRH3MEN1KMT2ACYP2C9TSHR | |
| SCHEMBL7399591 | 0.81 | HRH3 (0.47) | HRH3MEN1KMT2ACYP2C9TSHR | |
| SCHEMBL7399382 | 0.78 | ITGB3 (0.49) | HRH3MEN1KMT2AITGB3ITGA2B | |
| SCHEMBL7399380 | 0.78 | ITGB3 (0.49) | HRH3MEN1KMT2AITGB3ITGA2B | |
| SCHEMBL7400260 | 0.75 | MEN1 (0.49) | HRH3MEN1KMT2ACYP2C9TSHR | |
| SCHEMBL8613757 | 0.75 | HRH3 (0.61) | HRH3MEN1KMT2ACYP2C9TSHR | |
| SCHEMBL8613755 | 0.74 | ITGB3 (0.56) | HRH3MEN1KMT2AITGB3ITGA2B | |
| SCHEMBL28784972 | 0.72 | HRH3 (0.57) | HRH3MEN1KMT2ACYP2C9ITGB3 |
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-5563141-A | INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION | ZENECA LIMITED (GB) | 1996-10-08 | — | — | US | disclosed |
| EP-0690847-A1 | HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | ZENECA LIMITED (GB) | 1996-01-10 | — | — | EP | disclosed |
| WO-1994022835-A2 | HETEROCYCLIC COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | ZENECA LIMITED (GB) | 1994-10-13 | — | — | WO | disclosed |