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 | |
|---|---|---|---|---|
| ▸ | CAMK2D | Q13557 | 8/20 | 0.39 |
| ▸ | FLT3 | P36888 | 1/20 | 0.39 |
| ▸ | ICMT | O60725 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.35 |
| ▸ | QPCT | Q16769 | 1/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TNKS | O95271 | 1/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | APEX1 | P27695 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 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 SCHEMBL7659717 | 0.91 | CAMK2D (0.38) | CAMK2DGSK3BQPCTALDH1A1HPGD | |
| Acetic Acid SCHEMBL7661535 | 0.89 | KDM4E (0.38) | CAMK2DGSK3BQPCTALDH1A1HPGD | |
| Acetic Acid SCHEMBL8365263 | 0.87 | CAMK2D (0.43) | CAMK2DFLT3ICMTGSK3BQPCT | |
| Acetic Acid SCHEMBL8516841 | 0.87 | CAMK2D (0.52) | CAMK2DFLT3GSK3BRPS6KB1 | |
| Acetic Acid SCHEMBL8516991 | 0.87 | CAMK2D (0.38) | CAMK2DGSK3BQPCTALDH1A1HPGD | |
| Acetic Acid SCHEMBL8516329 | 0.87 | TP53 (0.41) | ICMTEGLN1RXFP1 | |
| Acetic Acid SCHEMBL7659567 | 0.86 | KDM4E (0.36) | GSK3BQPCTALDH1A1HPGDHSD17B10 | |
| Acetic Acid SCHEMBL7662281 | 0.86 | KDM4E (0.36) | CAMK2DGSK3BQPCTALDH1A1HPGD | |
| Acetic Acid SCHEMBL8362801 | 0.85 | PDE4B (0.43) | CAMK2DFLT3ICMTGSK3BQPCT | |
| Acetic Acid SCHEMBL7664776 | 0.85 | CAMK2D (0.43) | CAMK2DGSK3BRPS6KB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1999046260-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | claimed |
| WO-1999046260-A1 | NEW COMPOUNDS | ASTRAZENECA AB (SE) | 1999-09-16 | — | — | WO | disclosed |