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 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | PLK1 | P53350 | 1/20 | 0.65 |
| ▸ | PLA2G4B | P0C869 | 7/20 | 0.63 |
| ▸ | RARB | P10826 | 3/20 | 0.60 |
| ▸ | PTPN11 | Q06124 | 3/20 | 0.60 |
| ▸ | PLA2G4A | P47712 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27934133 | 0.96 | TP53 (0.66) | TP53TSHRPLK1PLA2G4BRARB | |
| SCHEMBL1443713 | 0.88 | AKR1C3 (0.57) | TP53TSHRPLK1PLA2G4B | |
| SCHEMBL10697334 | 0.85 | TSHR (0.55) | TP53TSHRPLK1PLA2G4BRARB | |
| SCHEMBL18774788 | 0.84 | TP53 (0.73) | TP53TSHRPLA2G4BRARBPLA2G4A | |
| SCHEMBL7921632 | 0.84 | TP53 (0.73) | TP53TSHRPLA2G4BRARBPLA2G4A | |
| SCHEMBL11001285 | 0.84 | TP53 (0.73) | TP53TSHRPLA2G4BRARBPLA2G4A | |
| SCHEMBL2595698 | 0.84 | TP53 (0.73) | TP53TSHRPLA2G4BRARBPLA2G4A | |
| SCHEMBL534753 | 0.84 | TP53 (0.73) | TP53TSHRPLA2G4BRARBPLA2G4A | |
| SCHEMBL6648277 | 0.84 | TP53 (0.73) | TP53TSHRPLA2G4BRARBPLA2G4A | |
| SCHEMBL534947 | 0.84 | TP53 (0.73) | TP53TSHRPLA2G4BRARBPLA2G4A |
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-0276064-A1 | Anti-inflammatory agents | ELI LILLY AND COMPANY (US) | 1988-07-27 | — | — | EP | disclosed |