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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 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 | |
|---|---|---|---|---|
| SCHEMBL28285750 | 0.93 | TAAR1 (0.47) | CYP1A2CYP3A4RECQLMAPK1CYP2C19 | |
| SCHEMBL28653743 | 0.81 | ALDH1A1 (0.43) | CYP3A4CYP2C19CYP2C9ALDH1A1SMN1; SMN2 | |
| SCHEMBL28669254 | 0.81 | PTPRC (0.36) | CYP1A2CYP3A4RECQLMAPK1CYP2C19 | |
| SCHEMBL28654764 | 0.81 | SLC6A2 (0.46) | CYP1A2MAPK1CYP2C19SMN1; SMN2SLC6A2 | |
| SCHEMBL28669363 | 0.79 | KMT2A (0.48) | SMN1; SMN2LMNAKMT2AKIF11 | |
| SCHEMBL28663137 | 0.78 | GLA (0.39) | CYP1A2CYP2C19ALDH1A1SMN1; SMN2TAAR1 | |
| SCHEMBL11268882 | 0.76 | ALDH1A1 (0.60) | CYP1A2CYP3A4MAPK1CYP2C19CYP2C9 | |
| SCHEMBL341054 | 0.76 | CYP2C19 (0.44) | CYP3A4MAPK1CYP2C19ALDH1A1HIF1A | |
| SCHEMBL29114281 | 0.75 | RAB9A (0.41) | CYP2C19ALDH1A1HIF1ALMNARAB9A | |
| SCHEMBL31312685 | 0.75 | CYP2C19 (0.44) | CYP3A4CYP2C19CYP2C9ALDH1A1HIF1A |
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 |
|---|---|---|---|---|---|---|---|
| CN-109438205-A | A kind of synthetic method of 2- methyl -2,3- diaryl propionic aldehyde derivative | 西北大学 | 2019-03-08 | — | — | CN | disclosed |