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 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 SCHEMBL7657005 | 0.90 | MAPT (0.37) | ASH1LMAPTTDP1CAMK2DMEN1 | |
| Acetic Acid SCHEMBL7815326 | 0.90 | MAPT (0.41) | ASH1LCYP3A4MAPTTDP1KDM4E | |
| Acetic Acid SCHEMBL8366763 | 0.89 | MAPT (0.38) | ASH1LMAPTTDP1KDM4ECAMK2D | |
| Acetic Acid SCHEMBL7817159 | 0.88 | MAPT (0.37) | ASH1LMAPTTDP1ALDH1A1 | |
| Acetic Acid SCHEMBL7663687 | 0.88 | MAPT (0.41) | ASH1LMAPTTDP1CAMK2DMEN1 | |
| Acetic Acid SCHEMBL7654036 | 0.87 | ASH1L (0.36) | ASH1LCYP3A4MAPTTDP1CAMK2D | |
| Acetic Acid SCHEMBL7820632 | 0.87 | MAPT (0.39) | ASH1LMAPTCAMK2DMEN1KMT2A | |
| Acetic Acid SCHEMBL7815330 | 0.87 | MAPT (0.50) | ASH1LMAPTTDP1KDM4ECAMK2D | |
| Acetic Acid SCHEMBL7653987 | 0.86 | CAMK2D (0.45) | CAMK2DRPS6KB1 | |
| Acetic Acid SCHEMBL7654544 | 0.86 | MAPT (0.36) | ASH1LMAPTTDP1CAMK2DMEN1 |
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 |