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 | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 4/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | DPP7 | Q9UHL4 | 3/20 | 0.39 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | REN | P00797 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.37 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.36 |
| ▸ | DPP8 | Q6V1X1 | 2/20 | 0.36 |
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 SCHEMBL7368757 | 1.00 | CA2 (0.42) | CA2CA1SLC1A1SLC1A2SLC1A3 | |
| SCHEMBL3645913 | 0.94 | CA1 (0.46) | CA2CA1SLC1A1SLC1A2SLC1A3 | |
| SCHEMBL8170345 | 0.94 | CA1 (0.46) | CA2CA1SLC1A1SLC1A2SLC1A3 | |
| Hydrochloric Acid SCHEMBL3645912 | 0.93 | CA1 (0.44) | CA2CA1SLC1A1SLC1A2SLC1A3 | |
| SCHEMBL15775039 | 0.89 | ZDHHC7 (0.46) | SLC1A1SLC1A2ALDH1A1S1PR2S1PR1 | |
| SCHEMBL28655438 | 0.87 | ZDHHC7 (0.49) | ALDH1A1S1PR2S1PR1MEN1HPGD | |
| SCHEMBL10382953 | 0.87 | ZDHHC7 (0.49) | ALDH1A1S1PR2S1PR1MEN1HPGD | |
| SCHEMBL28655439 | 0.87 | ZDHHC7 (0.49) | ALDH1A1S1PR2S1PR1MEN1HPGD | |
| SCHEMBL28932447 | 0.87 | ZDHHC7 (0.49) | ALDH1A1S1PR2S1PR1MEN1HPGD | |
| SCHEMBL3889832 | 0.87 | ZDHHC7 (0.49) | ALDH1A1S1PR2S1PR1MEN1HPGD |
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 |
|---|---|---|---|---|---|---|---|
| EP-0730590-B1 | ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | DU PONT PHARM CO (US) | 2001-01-17 | — | — | EP | disclosed |
| US-6114328-A | ANTICOAGULANTS; BLOOD DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-09-05 | — | — | US | disclosed |
| EP-0970950-A2 | Novel isoxazoline and isoxazole fibrinogen receptor antagonists | DuPont Pharmaceuticals Company (US) | 2000-01-12 | — | — | EP | disclosed |
| US-5849736-A | Isoxazoline and isoxazole fibrinogen receptor antagonists | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-15 | — | — | US | disclosed |
| WO-1995014683-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-06-01 | — | — | WO | disclosed |