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 | |
|---|---|---|---|---|
| ▸ | MC4R known ✓ | P32245 | 1/20 | 0.33 |
| ▸ | SSTR1 known ✓ | P30872 | 2/20 | 0.31 |
| ▸ | SSTR2 known ✓ | P30874 | 2/20 | 0.31 |
| ▸ | SSTR3 known ✓ | P32745 | 2/20 | 0.31 |
| ▸ | SSTR5 known ✓ | P35346 | 2/20 | 0.31 |
| ▸ | SSTR4 known ✓ | P31391 | 1/20 | 0.31 |
| ▸ | MC5R | P33032 | 1/20 | 0.33 |
| ▸ | KISS1R | Q969F8 | 1/20 | 0.32 |
| ▸ | CAMK2D | Q13557 | 3/20 | 0.32 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.32 |
| ▸ | MAP2 | P11137 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | DRD4 | P21917 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8126093 | 0.97 | KISS1R (0.33) | MC4RMC5RKISS1RCAMK2DMAP2 | |
| Acetic Acid SCHEMBL7840658 | 0.69 | NPEPPS (0.33) | MC4RMC5RCAMK2DOXER1 | |
| Acetic Acid SCHEMBL7007558 | 0.68 | CAMK2D (0.53) | KISS1RCAMK2D | |
| Acetic Acid SCHEMBL7507213 | 0.67 | GAA (0.42) | CAMK2DDRD2DRD4DRD3 | |
| Trifluoroacetic Acid SCHEMBL7822064 | 0.65 | HDAC3 (0.35) | CAMK2DSSTR1SSTR2SSTR3SSTR5 | |
| SCHEMBL8121603 | 0.64 | SMN1; SMN2 (0.44) | CAMK2DDRD2DRD4DRD3 | |
| SCHEMBL7005339 | 0.63 | CAMK2D (0.55) | KISS1RCAMK2D | |
| Trifluoroacetic Acid SCHEMBL7838986 | 0.63 | SSTR4 (0.33) | MC4RMC5RSSTR1SSTR2SSTR3 | |
| SCHEMBL7822940 | 0.63 | CAMK2D (0.38) | CAMK2D | |
| SCHEMBL7821934 | 0.63 | PDE9A (0.33) | MC4RMC5RCAMK2DSSTR2SSTR4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192150-A1 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | AstraZeneca AB (SE) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000078750-A1 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | ASTRAZENECA AB (SE) | 2000-12-28 | — | — | WO | disclosed |
| EP-1042317-A1 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | AstraZeneca AB (SE) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999032483-A1 | NEW PHARMACEUTICALLY ACTIVE COMPOUNDS | ASTRAZENECA AB (SE) | 1999-07-01 | — | — | WO | disclosed |