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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 2/20 | 0.47 |
| ▸ | HTT | P42858 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.43 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.38 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL291275 | 0.94 | NAAA (0.51) | NAAAHTTCYP2C19EPHX1CYP19A1 | |
| SCHEMBL27951874 | 0.89 | NAAA (0.46) | NAAAHTTCYP2C19EPHX1CYP19A1 | |
| SCHEMBL9101438 | 0.85 | APOBEC3A (0.44) | NAAAHTTCYP2C19EPHX1CYP19A1 | |
| Acetophenone SCHEMBL27165460 | 0.84 | ALDH1A1 (0.44) | HTTCYP19A1SMN1; SMN2KDM4ERAB9A | |
| SCHEMBL28103535 | 0.81 | NAAA (0.50) | NAAAHTTCYP2C19EPHX1CYP19A1 | |
| SCHEMBL6576698 | 0.79 | NAAA (0.51) | NAAAHTTCYP2C19EPHX1CYP19A1 | |
| SCHEMBL28134650 | 0.79 | NAAA (0.47) | NAAAHTTCYP2C19EPHX1CYP19A1 | |
| SCHEMBL8716143 | 0.78 | SMYD3 (0.40) | NAAAHTTCYP2C19EPHX1CYP19A1 | |
| SCHEMBL17819382 | 0.78 | CYP19A1 (0.47) | NAAAHTTCYP2C19EPHX1CYP19A1 | |
| SCHEMBL4781362 | 0.77 | CYP19A1 (0.37) | NAAAHTTEPHX1CYP19A1SMN1; SMN2 |
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-108778349-B | Perfume composition | 奇华顿股份有限公司 | 2021-03-23 | — | — | CN | disclosed |