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 | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | G6PD | P11413 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.52 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | CCR6 | P51684 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7711702 | 0.95 | MAPT (0.57) | MAPTKDM4ECYP3A4ALDH1A1G6PD | |
| SCHEMBL29600339 | 0.86 | KDM4E (0.67) | MAPTKDM4ECYP3A4ALDH1A1G6PD | |
| SCHEMBL1259029 | 0.86 | KDM4E (0.67) | MAPTKDM4ECYP3A4ALDH1A1G6PD | |
| SCHEMBL70123 | 0.80 | MAPT (0.75) | MAPTKDM4ECYP3A4ALDH1A1G6PD | |
| SCHEMBL47929 | 0.76 | ALDH1A1 (0.61) | MAPTKDM4ECYP3A4ALDH1A1G6PD | |
| Acetic Acid SCHEMBL2161867 | 0.76 | FFAR1 (0.39) | MAPTKDM4ECYP3A4ALDH1A1MAPK1 | |
| SCHEMBL2142147 | 0.75 | ALDH1A1 (0.53) | MAPTKDM4ECYP3A4ALDH1A1G6PD | |
| SCHEMBL4893830 | 0.75 | GRM1 (0.56) | MAPTKDM4ECYP3A4ALDH1A1HSD17B10 | |
| SCHEMBL3656900 | 0.75 | HTT (0.52) | MAPTKDM4ECYP3A4ALDH1A1G6PD | |
| SCHEMBL3459807 | 0.75 | HTT (0.52) | MAPTKDM4ECYP3A4ALDH1A1G6PD |
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 |
|---|---|---|---|---|---|---|---|
| US-5021067-A | Rapid oxidation dyes for darkening hair; 5,6-dioxyindole derivatives | L'OREAL (FR) | 1991-06-04 | — | — | US | claimed |