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 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CAMK2D | Q13557 | 4/20 | 0.41 |
| ▸ | GSK3B | P49841 | 8/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | QPCT | Q16769 | 6/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | FLT3 | P36888 | 1/20 | 0.33 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 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 SCHEMBL7653987 | 0.90 | CAMK2D (0.45) | CAMK2DGSK3BRPS6KB1PIM1 | |
| Acetic Acid SCHEMBL7661608 | 0.90 | PDE4B (0.39) | GSK3BQPCTIDH1FLT3 | |
| Acetic Acid SCHEMBL7662867 | 0.89 | CAMK2D (0.41) | CAMK2DGSK3BDYRK1ACNR2QPCT | |
| Acetic Acid SCHEMBL7655827 | 0.88 | CAMK2D (0.41) | CAMK2DGSK3BDYRK1ACNR2QPCT | |
| Acetic Acid SCHEMBL7662812 | 0.88 | ITK (0.35) | CAMK2DHTTKMT2ARPS6KB1FLT3 | |
| Acetic Acid SCHEMBL7652573 | 0.88 | CAMK2D (0.43) | CAMK2DGSK3BRPS6KB1PIM1 | |
| Acetic Acid SCHEMBL7662822 | 0.86 | KDM4E (0.36) | CAMK2DGSK3BQPCTMAPT | |
| Acetic Acid SCHEMBL7661589 | 0.86 | IP6K1 (0.42) | CAMK2DCHEK1 | |
| Acetic Acid SCHEMBL7664747 | 0.86 | CAMK2D (0.39) | CAMK2DGSK3BDYRK1AQPCTMEN1 | |
| Acetic Acid SCHEMBL7658173 | 0.86 | QPCT (0.38) | CAMK2DQPCTRPS6KB1PIM1 |
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 1 patent. 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 |