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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 2/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.42 |
| ▸ | SCD | O00767 | 2/20 | 0.41 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | LPL | P06858 | 1/20 | 0.38 |
| ▸ | LIPC | P11150 | 1/20 | 0.38 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 SCHEMBL1024079 | 0.87 | KDM4E (0.51) | HCRTR2HRH3CYP2C19CYP3A4CHRM3 | |
| SCHEMBL1027045 | 0.82 | MAPT (0.43) | HCRTR2HRH3SCDRIPK1SIGMAR1 | |
| Acetic Acid SCHEMBL1025524 | 0.76 | CYP46A1 (0.41) | CHRM3 | |
| Acetic Acid SCHEMBL1026517 | 0.76 | ACACB (0.41) | HRH3CYP2C19GAAMAPTCYP2C9 | |
| Acetic Acid SCHEMBL1026461 | 0.75 | FFAR1 (0.49) | HRH3CYP2C19GAAMAPTCYP2C9 | |
| Acetic Acid SCHEMBL1026900 | 0.75 | HRH3 (0.43) | HRH3 | |
| SCHEMBL1027946 | 0.74 | ADORA2A (0.41) | HCRTR2RIPK1SIGMAR1KDM1ACYP3A4 | |
| Acetic Acid SCHEMBL1026168 | 0.74 | HRH3 (0.49) | HRH3 | |
| SCHEMBL20152891 | 0.74 | RIPK1 (0.53) | HCRTR2RIPK1SIGMAR1CYP2C19KDM4E | |
| Acetic Acid SCHEMBL1023390 | 0.74 | DPP4 (0.50) | HRH3 |
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-2274288-A2 | MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | Incyte Corporation (US) | 2011-01-19 | — | — | EP | disclosed |
| WO-2009132202-A2 | MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | INCYTE CORPORATION (US) | 2009-10-29 | — | — | WO | disclosed |