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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | APEX1 | P27695 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 1/20 | 0.31 |
| ▸ | QPCT | Q16769 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.31 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.30 |
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 SCHEMBL7654108 | 0.98 | KDM4E (0.35) | KDM4EALDH1A1CYP1A2CYP2D6HPGD | |
| Acetic Acid SCHEMBL7661535 | 0.92 | KDM4E (0.38) | KDM4EALDH1A1CYP1A2CYP2D6HPGD | |
| Acetic Acid SCHEMBL7659567 | 0.90 | KDM4E (0.36) | KDM4EALDH1A1CYP1A2CYP2D6HPGD | |
| Acetic Acid SCHEMBL7662281 | 0.89 | KDM4E (0.36) | KDM4EALDH1A1CYP1A2CYP2D6HPGD | |
| Acetic Acid SCHEMBL7659717 | 0.88 | CAMK2D (0.38) | KDM4EALDH1A1CYP1A2CYP2D6HPGD | |
| Acetic Acid SCHEMBL7852963 | 0.88 | KDM4E (0.34) | KDM4EALDH1A1CYP1A2CYP2D6HPGD | |
| Acetic Acid SCHEMBL7666391 | 0.87 | CAMK2D (0.40) | GSK3BQPCTMAPTMEN1KMT2A | |
| Acetic Acid SCHEMBL7662822 | 0.87 | KDM4E (0.36) | KDM4EALDH1A1CYP1A2CYP2D6HPGD | |
| Acetic Acid SCHEMBL7658030 | 0.86 | ALDH1A1 (0.34) | KDM4EALDH1A1CYP1A2CYP2D6HPGD | |
| Acetic Acid SCHEMBL7653821 | 0.85 | CAMK2D (0.40) | GSK3BQPCTMAPTMEN1KMT2A |
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 |