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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | STAT3 | P40763 | 1/20 | 0.34 |
| ▸ | STAT1 | P42224 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | PDGFRB | P09619 | 9/20 | 0.34 |
| ▸ | KDR | P35968 | 9/20 | 0.34 |
| ▸ | FGFR1 | P11362 | 8/20 | 0.34 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.33 |
| ▸ | ITK | Q08881 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 1/20 | 0.32 |
| ▸ | KIT | P10721 | 1/20 | 0.32 |
| ▸ | FLT3 | P36888 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 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 SCHEMBL7850112 | 0.90 | NOTUM (0.42) | ALDH1A1HPGDKDM4ENOTUM | |
| Acetic Acid SCHEMBL7657317 | 0.89 | CAMK2D (0.37) | ALDH1A1HPGDKDM4E | |
| Acetic Acid SCHEMBL7658922 | 0.89 | SCARB1 (0.35) | ALDH1A1HPGDKDM4EPKMPDGFRB | |
| Acetic Acid SCHEMBL7666982 | 0.89 | ITK (0.35) | ALDH1A1HPGDKDM4EPKMPDGFRB | |
| Acetic Acid SCHEMBL7664719 | 0.88 | CAMK2D (0.41) | KDR | |
| Acetic Acid SCHEMBL7657186 | 0.86 | CAMK2D (0.39) | ALDH1A1HPGDKDM4E | |
| Acetic Acid SCHEMBL7852963 | 0.85 | KDM4E (0.34) | ALDH1A1HPGDKDM4EHSD17B10 | |
| Acetic Acid SCHEMBL7657013 | 0.85 | ITK (0.36) | ALDH1A1HPGDKDM4EPKMPDGFRB | |
| Acetic Acid SCHEMBL7817857 | 0.85 | RHEB (0.42) | ALDH1A1HPGDKDM4EPKMPDGFRB | |
| Acetic Acid SCHEMBL7662356 | 0.85 | MAPT (0.42) | SMN1; SMN2PDGFRBKDRITKMAPK1 |
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 |