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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 15/20 | 0.37 |
| ▸ | DRD3 | P35462 | 15/20 | 0.37 |
| ▸ | DRD4 | P21917 | 14/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 8/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 8/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 8/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 8/20 | 0.36 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
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 SCHEMBL5250258 | 0.95 | DRD2 (0.38) | DRD2DRD3DRD4FFAR4CHRM2 | |
| SCHEMBL97527 | 0.93 | CHRM2 (0.39) | DRD2DRD3DRD4FFAR4CHRM2 | |
| SCHEMBL27718597 | 0.84 | CHRM2 (0.39) | DRD2DRD3DRD4CHRM2CHRM4 | |
| SCHEMBL95580 | 0.70 | POLB (0.50) | — | |
| SCHEMBL96646 | 0.68 | CHRM1 (0.69) | DRD2DRD3DRD4CHRM2CHRM4 | |
| SCHEMBL94951 | 0.64 | HRH3 (0.38) | DRD2DRD3DRD4FFAR4CHRM2 | |
| SCHEMBL1663701 | 0.64 | CSF1R (0.45) | DRD2DRD3DRD4CHRM2CHRM4 | |
| SCHEMBL13606955 | 0.63 | CHRM1 (0.41) | DRD2DRD3DRD4CHRM2CHRM4 | |
| SCHEMBL155535 | 0.63 | HRH3 (0.52) | DRD2FFAR4CHRM4 | |
| SCHEMBL7484378 | 0.62 | CHRM4 (0.37) | DRD2DRD3CHRM4ADRA1DADRA1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1797082-A1 | CARBOSTYRIL COMPOUND | Otsuka Pharmaceutical Company, Limited (JP) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006035954-A1 | CARBOSTYRIL COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2006-04-06 | — | — | WO | disclosed |