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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN11 | Q06124 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | ALB | P02768 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CXCR2 | P25025 | 4/20 | 0.46 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 6/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.40 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | P4HB | P07237 | 1/20 | 0.38 |
| ▸ | TMPRSS4 | Q9NRS4 | 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 | |
|---|---|---|---|---|
| SCHEMBL91352 | 0.89 | MEN1 (0.58) | PTPN11MEN1TTRALBKMT2A | |
| Bromoxynil SCHEMBL9863697 | 0.79 | TTR (0.76) | MEN1TTRALBKMT2ACXCR2 | |
| SCHEMBL6888576 | 0.77 | MEN1 (0.50) | MEN1TTRALBKMT2ACXCR2 | |
| SCHEMBL7450183 | 0.76 | MEN1 (0.44) | MEN1TTRALBKMT2ACXCR2 | |
| SCHEMBL506682 | 0.74 | TTR (0.54) | PTPN11MEN1TTRALBKMT2A | |
| SCHEMBL23674669 | 0.74 | XDH (0.49) | MEN1TTRALBKMT2ACXCR2 | |
| SCHEMBL311893 | 0.74 | TMPRSS4 (0.52) | CXCR2CXCR1KDM4CXDHSLC22A12 | |
| SCHEMBL7276752 | 0.74 | MMP3 (0.55) | MEN1TTRALBKMT2ACYP19A1 | |
| SCHEMBL28276264 | 0.73 | CASP1 (0.44) | MEN1TTRALBKMT2ACXCR2 | |
| SCHEMBL9995270 | 0.72 | CA1 (0.54) | MEN1TTRALBKMT2ACXCR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0219143-A1 | Synergistic herbicidal compositions and methods of use | STAUFFER CHEMICAL COMPANY (US) | 1987-04-22 | — | — | EP | disclosed |