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 | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 12/20 | 0.42 |
| ▸ | EPAS1 | Q99814 | 12/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | COXFA4 | O00483 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9092014 | 0.85 | COXFA4 (0.44) | HIF1AEPAS1ALDH1A1HPGDCYP3A4 | |
| SCHEMBL9092249 | 0.83 | HIF1A (0.46) | HIF1AEPAS1ALDH1A1HPGDCYP3A4 | |
| SCHEMBL9091985 | 0.81 | HIF1A (0.45) | HIF1AEPAS1ALDH1A1HPGDPTGS1 | |
| SCHEMBL9090422 | 0.81 | HIF1A (0.45) | HIF1AEPAS1ALDH1A1HPGDKDM4E | |
| SCHEMBL9092543 | 0.80 | HIF1A (0.44) | HIF1AEPAS1ALDH1A1HPGDCOXFA4 | |
| SCHEMBL9092974 | 0.76 | HIF1A (0.46) | HIF1AEPAS1ALDH1A1HPGDCYP3A4 | |
| SCHEMBL9092301 | 0.74 | HIF1A (0.48) | HIF1AEPAS1ALDH1A1HPGDCYP3A4 | |
| Eulatachromene SCHEMBL9033640 | 0.70 | HIF1A (0.53) | HIF1AEPAS1ALDH1A1HPGDCYP3A4 | |
| SCHEMBL8902131 | 0.69 | ALDH1A1 (0.42) | HIF1AEPAS1ALDH1A1HPGDCYP3A4 | |
| SCHEMBL6648245 | 0.69 | ALDH1A1 (0.57) | HIF1AEPAS1ALDH1A1HPGDCYP3A4 |
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-5574049-A | POTASSIUM CHANNEL OPENERS, BRONCHODILATORS, ANTIASTHMA | SANDOZ LTD. (CH) | 1996-11-12 | — | — | US | disclosed |
| EP-0623129-A1 | 2,2-DIALKYL- AND 2,2-DIALKYL-3,4-DIHYDRO-3-HYDROXY-2H-1-BENZOPYR ANS, THEIR USE AS PHARMACEUTICALS | Novartis AG (CH) | 1994-11-09 | — | — | EP | disclosed |
| WO-1994012493-A1 | 2,2-DIALKYL- AND 2,2-DIALKYL-3,4-DIHYDRO-3-HYDROXY-2H-1-BENZOPYR ANS, THEIR USE AS PHARMACEUTICALS | SANDOZ, LTD. (CH) | 1994-06-09 | — | — | WO | disclosed |