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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 4/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.52 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | IAPP | P10997 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL28773312 | 0.88 | GABRA1 (0.50) | GABRA1GABRB2CLCN2ALOX15TSHR | |
| Acetic Acid SCHEMBL27515528 | 0.88 | GABRA1 (0.42) | GABRA1GABRB2CLCN2ALOX15TSHR | |
| SCHEMBL245773 | 0.87 | GABRA1 (0.57) | GABRA1GABRB2TAAR1HTR1A | |
| Carbamic Acid SCHEMBL27280738 | 0.86 | GABRA1 (0.48) | GABRA1GABRB2CLCN2ALOX15TSHR | |
| Methylamine SCHEMBL27545014 | 0.85 | GABRA1 (0.55) | GABRA1GABRB2TAAR1HTR1A | |
| SCHEMBL31498538 | 0.85 | GABRA1 (0.55) | GABRA1GABRB2TAAR1HTR1A | |
| Ammonia Solution, Strong SCHEMBL27320869 | 0.85 | GABRA1 (0.55) | GABRA1GABRB2TAAR1HTR1A | |
| Methane SCHEMBL28776675 | 0.85 | GABRA1 (0.55) | GABRA1GABRB2TAAR1HTR1A | |
| Benzoic Acid SCHEMBL29238231 | 0.83 | TSHR (0.56) | GABRA1GABRB2CLCN2TSHRCYP2C19 | |
| Acetic Acid SCHEMBL28455812 | 0.82 | FOLH1 (0.49) | GABRA1GABRB2PPARA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2187745-A2 | HERBICIDAL COMPOSITION | Sumitomo Chemical Company, Limited (JP) | 2010-05-26 | — | — | EP | disclosed |
| WO-2009035151-A2 | HERBICIDAL COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-03-19 | — | — | WO | disclosed |