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 | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | KDR | P35968 | 2/20 | 0.37 |
| ▸ | PDE4A | P27815 | 7/20 | 0.36 |
| ▸ | PDE4B | Q07343 | 7/20 | 0.36 |
| ▸ | PDE4C | Q08493 | 7/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 7/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 5/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 5/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | PRKCB | P05771 | 1/20 | 0.33 |
| ▸ | PRKCA | P17252 | 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 SCHEMBL7654172 | 0.96 | CA12 (0.38) | CA12CA1CA2CA9KDR | |
| Acetic Acid SCHEMBL7854983 | 0.90 | CYP11B2 (0.34) | CA12CA1CA2CA9KDR | |
| Acetic Acid SCHEMBL7659819 | 0.89 | TP53 (0.37) | KDM4EALDH1A1HPGD | |
| Acetic Acid SCHEMBL7652534 | 0.88 | CA12 (0.40) | CA12CA1CA2CA9KDR | |
| Acetic Acid SCHEMBL7660916 | 0.88 | CA12 (0.40) | CA12CA1CA2CA9KDR | |
| Acetic Acid SCHEMBL7664719 | 0.87 | CAMK2D (0.41) | CA12CA1CA2CA9KDR | |
| Acetic Acid SCHEMBL7657186 | 0.86 | CAMK2D (0.39) | CA12CA1CA2CA9CYP11B1 | |
| Acetic Acid SCHEMBL7657913 | 0.85 | PDE4A (0.42) | CA12CA1CA2CA9KDR | |
| Acetic Acid SCHEMBL7663912 | 0.84 | CA12 (0.42) | CA12CA1CA2CA9KDR | |
| Acetic Acid SCHEMBL7658112 | 0.84 | PDE4A (0.41) | CA12CA1CA2CA9KDR |
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 |