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 | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 20/20 | 0.67 |
| ▸ | MAP2K2 | P36507 | 15/20 | 0.67 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.67 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.67 |
| ▸ | BRAF | P15056 | 1/20 | 0.67 |
| ▸ | DRD1 | P21728 | 1/20 | 0.67 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.67 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.67 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.67 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.67 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.67 |
| ▸ | DRD3 | P35462 | 1/20 | 0.67 |
| ▸ | ACTR3 | P61158 | 1/20 | 0.67 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.67 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.44 |
| ▸ | IARS2 | Q9NSE4 | 1/20 | 0.44 |
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 SCHEMBL1488757 | 1.00 | MAP2K1 (0.67) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL29413538 | 0.97 | MAP2K1 (0.71) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL1488382 | 0.97 | MAP2K1 (0.71) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL3835336 | 0.97 | MAP2K1 (0.71) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL21010530 | 0.89 | MAP2K2 (0.57) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL29413577 | 0.88 | MAP2K1 (0.54) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL1488759 | 0.88 | MAP2K1 (0.54) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL4585375 | 0.88 | MAP2K1 (0.54) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| SCHEMBL6847807 | 0.87 | MAP2K2 (0.57) | MAP2K1MAP2K2CHRM2CHRM1BRAF | |
| Acetic Acid SCHEMBL1488566 | 0.84 | MAP2K1 (0.65) | MAP2K1MAP2K2CHRM2CHRM1BRAF |
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-1934174-A1 | AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | Exelixis, Inc. (US) | 2008-06-25 | — | — | EP | disclosed |
| WO-2007044515-A1 | AZETIDINES AS MEK INHIBITORS FOR THE TREATMENT OF PROLIFERATIVE DISEASES | EXELIXIS, INC. (US) | 2007-04-19 | — | — | WO | disclosed |