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 | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | DPP4 | P27487 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | CASP7 | P55210 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | TNF | P01375 | 1/20 | 0.34 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29356274 | 0.87 | CYP3A4 (0.59) | CYP3A4MAPK1CA2CA1SMN1; SMN2 | |
| SCHEMBL110840 | 0.87 | CYP3A4 (0.59) | CYP3A4MAPK1CA2CA1SMN1; SMN2 | |
| SCHEMBL4856943 | 0.87 | CYP3A4 (0.59) | CYP3A4MAPK1CA2CA1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL374537 | 0.85 | CYP3A4 (0.56) | CYP3A4MAPK1CLCN2CA2CA1 | |
| Hydrochloric Acid SCHEMBL30818252 | 0.85 | CYP3A4 (0.56) | CYP3A4MAPK1CLCN2CA2CA1 | |
| Propane SCHEMBL10791092 | 0.82 | MAPK1 (0.48) | CYP3A4MAPK1CA2CA1SMN1; SMN2 | |
| Acetic Acid SCHEMBL8860152 | 0.81 | CYP3A4 (0.73) | CYP3A4MAPK1CLCN2CA2CA1 | |
| SCHEMBL28107270 | 0.77 | TSHR (0.47) | CYP3A4MAPK1CA2CA1TSHR | |
| SCHEMBL1953239 | 0.76 | ALDH1A1 (0.42) | CYP3A4MAPK1CA2CA1MEN1 | |
| SCHEMBL3945285 | 0.73 | CYP3A4 (0.39) | CYP3A4MAPK1CA2CA1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-3246216-A | — | — | None | — | — | JP | disclosed |
| JP-H03246216-A | 2,4-DICHLORO-3-AMINOPHENOL-O-ACYLATED MATERIAL OR SALT THEREOF AND KERATIN FIBER DYEING AGENT COMPOSITION CONTAINING SAME MATERIAL OR SALT THEREOF | KAO CORP | 1991-11-01 | — | — | JP | disclosed |