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 | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.52 |
| ▸ | ATM | Q13315 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | DHFR | P00374 | 1/20 | 0.52 |
| ▸ | MPO | P05164 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.52 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.52 |
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 SCHEMBL30560723 | 1.00 | TRPA1 (0.52) | TRPA1ATMLMNAMEN1AKR1B10 | |
| Acetic Acid SCHEMBL28859280 | 0.97 | TRPA1 (0.50) | TRPA1ATMLMNAMEN1AKR1B10 | |
| Acetone SCHEMBL28082069 | 0.92 | TRPA1 (0.55) | TRPA1ATMLMNAMEN1AKR1B10 | |
| Carbamic Acid SCHEMBL11035925 | 0.86 | TRPA1 (0.50) | TRPA1ATMLMNAMEN1AKR1B10 | |
| Acetic Acid SCHEMBL28437480 | 0.85 | TRPA1 (0.77) | TRPA1ATMLMNAMEN1AKR1B10 | |
| Benzene SCHEMBL22829865 | 0.85 | TRPA1 (0.58) | TRPA1ATMLMNAMEN1AKR1B10 | |
| Acetic Acid SCHEMBL11585907 | 0.84 | TRPA1 (0.43) | TRPA1ATMLMNAMEN1AKR1B10 | |
| Acetic Acid SCHEMBL11035058 | 0.84 | CYP3A4 (0.54) | TRPA1ATMLMNAMEN1AKR1B10 | |
| Acetic Acid SCHEMBL28703177 | 0.82 | FFAR3 (0.44) | TRPA1ATMLMNAMEN1AKR1B10 | |
| O-Xylene SCHEMBL7156831 | 0.82 | TSHR (0.62) | CYP3A4CYP2C9KMT2ANAPRTTDP1 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106431897-B | A kind of new synthesis process of 2,4,6- trimethylbenzene chloroacetic chloride | 宿迁科思化学有限公司 | 2019-06-04 | — | — | CN | disclosed |
| CN-106893464-A | A kind of plastic roller coating dumb light paint and preparation method thereof | 肇庆市哈力化工有限公司 | 2017-06-27 | — | — | CN | disclosed |
| CN-106431897-A | New compounding technology for 2,4,6-trimethyl phenylacetyl chloride | 宿迁科思化学有限公司 | 2017-02-22 | — | — | CN | disclosed |
| EP-2187744-A2 | HERBICIDAL COMPOSITION COMPRISING A PYRIDAZINONE COMPOUND WITH A SPECIFIC HERBICIDE AND A SPECIFIC SAFENER | Sumitomo Chemical Company, Limited (JP) | 2010-05-26 | — | — | EP | disclosed |
| EP-2187745-A2 | HERBICIDAL COMPOSITION | Sumitomo Chemical Company, Limited (JP) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009035145-A2 | HERBICIDAL COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-03-19 | — | — | WO | disclosed |
| WO-2009035151-A2 | HERBICIDAL COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-03-19 | — | — | WO | disclosed |
| US-5756858-A | Process for the preparation of substituted phenylacetic acid derivatives and novel intermediates | BAYER AKTIENGESELLSCHAFT (DE) | 1998-05-26 | — | — | US | disclosed |
| CN-1180348-A | Pyrrolidinyl hydroxamic acid compounds and their production process | PFIZER (US) | 1998-04-29 | — | — | CN | disclosed |