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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BDKRB2 known ✓ | P30411 | 2/20 | 0.37 |
| ▸ | CAMK2D | Q13557 | 14/20 | 0.38 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | TSSK1B | Q9BXA7 | 1/20 | 0.33 |
| ▸ | EGLN1 | Q9GZT9 | 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL7656941 | 0.92 | BDKRB2 (0.35) | CAMK2DBDKRB2PIM1RPS6KB1TSSK1B | |
| Acetic Acid SCHEMBL7660674 | 0.92 | CAMK2D (0.35) | CAMK2DBDKRB2PIM1RPS6KB1GSK3B | |
| Acetic Acid SCHEMBL8365280 | 0.92 | CAMK2D (0.39) | CAMK2DBDKRB2RPS6KB1EGLN1 | |
| Acetic Acid SCHEMBL7657858 | 0.92 | TSSK1B (0.37) | CAMK2DBDKRB2PIM1RPS6KB1TSSK1B | |
| Acetic Acid SCHEMBL7652448 | 0.92 | CAMK2D (0.39) | CAMK2DBDKRB2PIM1RPS6KB1KDR | |
| Acetic Acid SCHEMBL7663715 | 0.90 | BDKRB2 (0.34) | CAMK2DBDKRB2PIM1RPS6KB1 | |
| Acetic Acid SCHEMBL7658173 | 0.90 | QPCT (0.38) | CAMK2DBDKRB2PIM1RPS6KB1 | |
| Acetic Acid SCHEMBL7666588 | 0.90 | BDKRB2 (0.34) | CAMK2DBDKRB2PIM1RPS6KB1 | |
| Acetic Acid SCHEMBL7663900 | 0.90 | ALDH1A1 (0.36) | CAMK2DBDKRB2PIM1 | |
| SCHEMBL7656952 | 0.89 | BDKRB2 (0.34) | CAMK2DBDKRB2PIM1RPS6KB1KDR |
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 |