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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITGB3 | P05106 | 8/20 | 0.46 |
| ▸ | ITGA2B | P08514 | 8/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.41 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.41 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.41 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.41 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.41 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.41 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.41 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.41 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CPN1 | P15169 | 1/20 | 0.40 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.40 |
| ▸ | GABRP | O00591 | 1/20 | 0.39 |
| ▸ | GABRD | O14764 | 1/20 | 0.39 |
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 SCHEMBL5764925 | 0.88 | GABRA5 (0.44) | ITGB3ITGA2BGABRA5GABRB2SLC6A1 | |
| SCHEMBL28893 | 0.88 | ITGB3 (0.42) | ITGB3ITGA2BGABRA5GABRB2SLC6A1 | |
| Hydrochloric Acid SCHEMBL146163 | 0.86 | ITGB3 (0.41) | ITGB3ITGA2BGABRA5GABRB2SLC6A1 | |
| Bromide SCHEMBL11261498 | 0.86 | ITGB3 (0.41) | ITGB3ITGA2BGABRA5GABRB2SLC6A1 | |
| Acetic Acid SCHEMBL27909150 | 0.83 | GNAO1 (0.54) | ITGB3ITGA2BGNAI3GNAO1GNAI1 | |
| Acetic Acid SCHEMBL29252307 | 0.81 | GNAO1 (0.56) | ITGB3ITGA2BGNAI3GNAO1GNAI1 | |
| Acetic Acid SCHEMBL27704123 | 0.81 | GABRA5 (0.48) | ITGB3ITGA2BGABRA5GABRB2SLC6A1 | |
| SCHEMBL2544949 | 0.81 | ITGB3 (0.41) | ITGB3ITGA2BGABRA5GABRB2SLC6A1 | |
| Hydrochloric Acid SCHEMBL1844095 | 0.79 | ITGB3 (0.40) | ITGB3ITGA2BGABRA5GABRB2SLC6A1 | |
| SCHEMBL11261846 | 0.79 | ITGB3 (0.40) | ITGB3ITGA2BGABRA5GABRB2SLC6A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5786373-A | Fibrinogen receptor antagonists | MERCK & CO., INC. (US) | 1998-07-28 | — | — | US | disclosed |
| EP-0667773-A4 | FIBRINOGEN RECEPTOR ANTAGONISTS. | MERCK & CO INC (US) | 1996-09-25 | — | — | EP | disclosed |
| EP-0667773-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO. INC. (US) | 1995-08-23 | — | — | EP | disclosed |
| WO-1994008577-A1 | FIBRINOGEN RECEPTOR ANTAGONISTS | MERCK & CO., INC. (US) | 1994-04-28 | — | — | WO | disclosed |