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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.46 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.46 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | METAP2 | P50579 | 1/20 | 0.45 |
| ▸ | METAP1 | P53582 | 1/20 | 0.45 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL12200321 | 0.90 | CYP1A2 (0.56) | ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL1155486 | 0.90 | CYP1A2 (0.56) | ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL1154786 | 0.90 | CYP1A2 (0.56) | ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL30270396 | 0.90 | CYP1A2 (0.56) | ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL110315 | 0.90 | CYP1A2 (0.56) | ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL31087888 | 0.90 | CYP1A2 (0.56) | ALDH1A1CYP2C9CYP2C19CYP1A2 | |
| Acetic Acid SCHEMBL28094249 | 0.82 | ALDH1A1 (0.53) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD | |
| SCHEMBL5191146 | 0.81 | SLC6A4 (0.45) | ALDH1A1CYP2C9CYP2C19CYP1A2EPHX2 | |
| Furan SCHEMBL28267653 | 0.80 | ALDH1A1 (0.46) | ALDH1A1CYP2C9CYP2C19CYP1A2LMNA | |
| SCHEMBL448107 | 0.79 | AKR1B1 (0.51) | ALDH1A1CYP2C9CYP2C19CYP1A2HPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001060986-A9 | ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY | THERMOGEN INC (US) | 2002-10-17 | — | — | WO | claimed |
| WO-2001060986-A2 | ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY | THERMOGEN, INC. (US) | 2001-08-23 | — | — | WO | claimed |
| WO-2001060986-A9 | ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY | THERMOGEN INC (US) | 2002-10-17 | — | — | WO | disclosed |
| WO-2001060986-A2 | ESTERASE ENZYMES HAVING SELECTIVE ACTIVITY | THERMOGEN, INC. (US) | 2001-08-23 | — | — | WO | disclosed |