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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGTR1 known ✓ | P30556 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 2/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CTRC | Q99895 | 1/20 | 0.34 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.33 |
| ▸ | GABRP | O00591 | 1/20 | 0.33 |
| ▸ | GABRD | O14764 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.33 |
| ▸ | GABRE | P78334 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8805944 | 0.83 | ALDH1A1 (0.43) | PDE4APDE4BPDE4CPDE4DLMNA | |
| Acetic Acid SCHEMBL9249727 | 0.81 | PDE4A (0.40) | PDE4APDE4BPDE4CPDE4DMAPT | |
| SCHEMBL9739003 | 0.79 | TLR8 (0.36) | PDE4APDE4BPDE4CPDE4DLMNA | |
| Acetic Acid SCHEMBL9254240 | 0.78 | AGTR1 (0.45) | CTRCAGTR1AGTR2MAPTALDH1A1 | |
| SCHEMBL9257344 | 0.74 | KDM4E (0.42) | LMNAMAPTALDH1A1HPGDHSD17B10 | |
| Acetic Acid SCHEMBL8805905 | 0.71 | HCAR2 (0.44) | PDE4APDE4BPDE4CPDE4DLMNA | |
| SCHEMBL5158467 | 0.71 | PDE10A (0.35) | PDE4APDE4BPDE4CPDE4DALDH1A1 | |
| SCHEMBL16229360 | 0.71 | GCGR (0.36) | LMNAALDH1A1HPGDKMT2AHTT | |
| SCHEMBL7323116 | 0.70 | PDE4A (0.48) | PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL12251371 | 0.67 | CASP1 (0.41) | PDE4APDE4BPDE4CPDE4DLMNA |
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 |