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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4B | Q07343 | 2/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.41 |
| ▸ | GSK3B | P49841 | 8/20 | 0.38 |
| ▸ | QPCT | Q16769 | 7/20 | 0.38 |
| ▸ | SYK | P43405 | 4/20 | 0.37 |
| ▸ | PRKD1 | Q15139 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | FCER2 | P06734 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 3/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 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 SCHEMBL7663779 | 0.91 | PDE4B (0.42) | PDE4BPDE4DGSK3BQPCTSYK | |
| Acetic Acid SCHEMBL7658926 | 0.91 | PDE4B (0.45) | PDE4BPDE4DGSK3BQPCTPRKD1 | |
| Acetic Acid SCHEMBL7661608 | 0.90 | PDE4B (0.39) | PDE4BPDE4DGSK3BQPCTSYK | |
| Acetic Acid SCHEMBL7657890 | 0.89 | CHEK1 (0.39) | PDE4BPDE4D | |
| Acetic Acid SCHEMBL7662867 | 0.89 | CAMK2D (0.41) | GSK3BQPCT | |
| Acetic Acid SCHEMBL7664639 | 0.89 | PDE4B (0.39) | PDE4BPDE4DGSK3BQPCTSYK | |
| Acetic Acid SCHEMBL7657013 | 0.89 | ITK (0.36) | GSK3BFLT3KDM4EALDH1A1HPGD | |
| Acetic Acid SCHEMBL7662554 | 0.88 | PDE4B (0.39) | PDE4BPDE4DGSK3BQPCTSYK | |
| Acetic Acid SCHEMBL7662837 | 0.88 | PDE4B (0.39) | PDE4BPDE4DGSK3BQPCTSYK | |
| SCHEMBL7656458 | 0.88 | PDE4B (0.40) | PDE4BPDE4DGSK3BQPCTSYK |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6458792-B1 | MEDICAMENT FOR THE TREATMENT OF INFLAMMATORY, IMMUNOLOGICAL, BRONCHOPULMONARY, CARDIOVASCULAR, ONCOLOGICAL OR CNS-DEGENERATIVE DISORDERS. | ASTRAZENECA AB (SE) | 2002-10-01 | — | — | US | disclosed |
| EP-1071683-A1 | NEW COMPOUNDS | AstraZeneca AB (SE) | 2001-01-31 | — | — | EP | disclosed |
| WO-1999046264-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | disclosed |