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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.40 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.64 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2047863 | 0.96 | KDM4E (0.62) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| Acetic Acid SCHEMBL28743775 | 0.86 | KDM4E (0.70) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL29112120 | 0.85 | ALDH1A1 (0.49) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL7093557 | 0.84 | KDM4E (0.52) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL2059537 | 0.84 | KDM4E (0.71) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL15496003 | 0.79 | KDM4E (0.44) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL29760302 | 0.78 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL1315833 | 0.78 | KDM4E (1.00) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL8676658 | 0.78 | KDM4E (0.69) | KDM4EHSD17B10ALDH1A1HPGDHTT | |
| SCHEMBL10808312 | 0.77 | MAPK1 (0.62) | KDM4EHSD17B10ALDH1A1HPGDHTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0377308-B1 | Phenolic resins | BORDEN UK LTD (GB) | 1993-11-03 | — | — | EP | claimed |