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 | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 3/20 | 0.44 |
| ▸ | TLR7 | Q9NYK1 | 4/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | TLR8 | Q9NR97 | 3/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8806788 | 0.90 | AGTR1 (0.42) | DHFRTLR7CYP4A11MAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL9254240 | 0.89 | AGTR1 (0.45) | DHFRMAPTSMN1; SMN2AGTR1AGTR2 | |
| Acetic Acid SCHEMBL9250689 | 0.89 | AGTR1 (0.34) | DHFRTLR7AGTR1AGTR2 | |
| Acetic Acid SCHEMBL9249727 | 0.86 | PDE4A (0.40) | TLR7MAPT | |
| SCHEMBL9250317 | 0.85 | DHFR (0.40) | DHFRTLR7CYP4A11MAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL8808045 | 0.80 | TLR7 (0.44) | DHFRTLR7CYP4A11MAPTSMN1; SMN2 | |
| SCHEMBL1228189 | 0.78 | AGTR1 (0.53) | AGTR1AGTR2 | |
| SCHEMBL9254231 | 0.76 | AGTR1 (0.44) | SMN1; SMN2AGTR1AGTR2 | |
| SCHEMBL8806775 | 0.75 | AGTR1 (0.56) | AGTR1AGTR2 | |
| Acetic Acid SCHEMBL9257350 | 0.75 | PDE4A (0.35) | MAPTAGTR1AGTR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5474996-A | Angiotension II inhibitors | ROUSSEL UCLAF (FR) | 1995-12-12 | — | — | US | disclosed |