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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | THRB | P10828 | 3/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.68 |
| ▸ | HPGD | P15428 | 2/20 | 0.68 |
| ▸ | TP53 | P04637 | 1/20 | 0.68 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.68 |
| ▸ | CASP1 | P29466 | 1/20 | 0.68 |
| ▸ | RECQL | P46063 | 1/20 | 0.68 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.68 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.68 |
| ▸ | APP | P05067 | 3/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.58 |
| ▸ | CA12 | O43570 | 3/20 | 0.58 |
| ▸ | CA1 | P00915 | 3/20 | 0.58 |
| ▸ | CA2 | P00918 | 3/20 | 0.58 |
| ▸ | CA7 | P43166 | 3/20 | 0.58 |
| ▸ | CA9 | Q16790 | 3/20 | 0.58 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | MEN1 | O00255 | 2/20 | 0.58 |
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 | |
|---|---|---|---|---|
| Sulfuric Acid SCHEMBL29157241 | 0.92 | ALDH1A1 (0.84) | ALDH1A1THRBCYP3A4HPGDTP53 | |
| Hydroquinone SCHEMBL9788155 | 0.87 | ALDH1A1 (0.76) | ALDH1A1THRBCYP3A4HPGDTP53 | |
| SCHEMBL4873547 | 0.87 | ALDH1A1 (0.76) | ALDH1A1THRBCYP3A4HPGDTP53 | |
| Hydroquinone SCHEMBL29354253 | 0.87 | ALDH1A1 (0.76) | ALDH1A1THRBCYP3A4HPGDTP53 | |
| SCHEMBL84826 | 0.87 | — | — | |
| Bromide SCHEMBL3362685 | 0.85 | ALDH1A1 (0.73) | ALDH1A1THRBCYP3A4HPGDTP53 | |
| Hydrochloric Acid SCHEMBL8724196 | 0.85 | ALDH1A1 (0.73) | ALDH1A1THRBCYP3A4HPGDTP53 | |
| Hydrogen Sulfide SCHEMBL28104921 | 0.85 | ALDH1A1 (0.73) | ALDH1A1THRBCYP3A4HPGDTP53 | |
| SCHEMBL11344869 | 0.85 | ALDH1A1 (0.73) | ALDH1A1THRBCYP3A4HPGDTP53 | |
| Methane SCHEMBL28193938 | 0.85 | ALDH1A1 (0.73) | ALDH1A1THRBCYP3A4HPGDTP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0018080-B1 | HERBICIDAL COMPOUNDS, THEIR PREPARATION, COMPOSITIONS AND PROCESS FOR THE USE THEREOF | ICI AUSTRALIA LIMITED (AU) | 1984-03-14 | — | — | EP | disclosed |
| US-4314065-A | HERBICIDES | ICI AUSTRALIA LIMITED (AU) | 1982-02-02 | — | — | US | disclosed |
| EP-0018080-A1 | Herbicidal compounds, their preparation, compositions and process for the use thereof | ICI AUSTRALIA LIMITED (AU) | 1980-10-29 | — | — | EP | disclosed |