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 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.44 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | DHFR | P00374 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.39 |
| ▸ | PLK1 | P53350 | 1/20 | 0.39 |
| ▸ | CTRC | Q99895 | 1/20 | 0.38 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 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 | |
|---|---|---|---|---|
| SCHEMBL13800064 | 0.86 | RARB (0.50) | ALDH1A1MAPTCTRCAGTR1AGTR2 | |
| Acetic Acid SCHEMBL9250323 | 0.80 | DHFR (0.44) | TLR7TLR8MAPTCYP4A11CYP4F2 | |
| SCHEMBL8806788 | 0.78 | AGTR1 (0.42) | TLR7TLR8ALDH1A1MAPTCYP4A11 | |
| SCHEMBL9250317 | 0.73 | DHFR (0.40) | TLR7TLR8ALDH1A1MAPTCYP4A11 | |
| SCHEMBL1792416 | 0.72 | CYP4A11 (0.74) | ALDH1A1MAPTCYP4A11RAB9ACYP4F2 | |
| SCHEMBL28001685 | 0.72 | KDM5A (0.45) | TLR7TLR8ALDH1A1MAPTRAB9A | |
| SCHEMBL9120308 | 0.69 | TLR7 (0.46) | TLR7TLR8MAPTCYP4A11RAB9A | |
| SCHEMBL12656086 | 0.68 | RARB (0.68) | ALDH1A1MAPTCYP4A11CYP4F2SMN1; SMN2 | |
| SCHEMBL8044139 | 0.68 | CYP4A11 (0.75) | ALDH1A1MAPTCYP4A11CYP4F2SMN1; SMN2 | |
| SCHEMBL20178553 | 0.68 | CYP4A11 (0.54) | MAPTCYP4A11CYP4F2SMN1; SMN2PLK1 |
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-0515265-B1 | Pyrimidin derivatives, process for their preparation, the obtained intermediates, their use as medicines and the pharmaceutical compositions containing them | ROUSSEL UCLAF (FR) | 1997-04-16 | — | — | EP | disclosed |