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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 6/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 6/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 6/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 6/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.37 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL9254240 | 0.90 | AGTR1 (0.45) | ALDH1A1MAPTKMT2A | |
| SCHEMBL8808929 | 0.88 | ALDH1A1 (0.41) | PDE4APDE4BPDE4CPDE4DRXFP1 | |
| Acetic Acid SCHEMBL9250323 | 0.86 | DHFR (0.44) | TLR7MAPT | |
| Acetic Acid SCHEMBL9250689 | 0.83 | AGTR1 (0.34) | TLR7 | |
| SCHEMBL9249723 | 0.83 | ALDH1A1 (0.45) | RXFP1ALDH1A1MAPTPOLBL3MBTL1 | |
| SCHEMBL8806942 | 0.81 | ALDH1A1 (0.46) | PDE4APDE4BPDE4CPDE4DRXFP1 | |
| SCHEMBL1228189 | 0.78 | AGTR1 (0.53) | ALDH1A1HPGD | |
| SCHEMBL1228364 | 0.76 | AGTR1 (0.55) | — | |
| SCHEMBL7323116 | 0.76 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4DTLR7 | |
| SCHEMBL8806788 | 0.74 | AGTR1 (0.42) | TP53TLR7ALDH1A1MAPTHPGD |
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 |