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 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | QPCT | Q16769 | 1/20 | 0.33 |
| ▸ | CDK4 | P11802 | 4/20 | 0.32 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.31 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.31 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.31 |
| ▸ | CAMK2D | Q13557 | 2/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 SCHEMBL7655889 | 0.90 | CAMK2D (0.39) | GSK3BQPCTCDK4CAMK2DPIM1 | |
| Acetic Acid SCHEMBL7664691 | 0.89 | POLB (0.36) | KDM4EALDH1A1HSD17B10TDP1GSK3B | |
| Acetic Acid SCHEMBL7655832 | 0.88 | CAMK2D (0.43) | CAMK2DPIM1 | |
| Acetic Acid SCHEMBL7660007 | 0.88 | RXFP1 (0.33) | KDM4EALDH1A1HPGDHSD17B10CNR2 | |
| Acetic Acid SCHEMBL7662879 | 0.87 | CAMK2D (0.39) | KDM4EALDH1A1CYP1A2CYP2D6HPGD | |
| Acetic Acid SCHEMBL7659567 | 0.86 | KDM4E (0.36) | KDM4EALDH1A1CYP1A2CYP2D6HPGD | |
| Acetic Acid SCHEMBL7846340 | 0.86 | TP53 (0.39) | KDM4EALDH1A1CYP1A2CYP2D6MAPT | |
| Acetic Acid SCHEMBL7652165 | 0.86 | ASH1L (0.34) | ALDH1A1CYP1A2TDP1CDK4MAPT | |
| Acetic Acid SCHEMBL7656892 | 0.86 | CAMK2D (0.41) | GSK3BCAMK2DPIM1 | |
| Acetic Acid SCHEMBL8516991 | 0.85 | CAMK2D (0.38) | KDM4EALDH1A1CYP1A2CYP2D6HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |