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 | |
|---|---|---|---|---|
| ▸ | ADRA2A known ✓ | P08913 | 2/20 | 0.54 |
| ▸ | ADRA2B known ✓ | P18089 | 1/20 | 0.49 |
| ▸ | ADRA2C known ✓ | P18825 | 1/20 | 0.49 |
| ▸ | OPRK1 known ✓ | P41145 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.54 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.54 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.54 |
| ▸ | DRD1 | P21728 | 2/20 | 0.54 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.54 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.54 |
| ▸ | DRD3 | P35462 | 2/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | HRH1 | P35367 | 2/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL1802062 | 0.90 | DRD3 (0.59) | SLC6A2CYP2D6CHRM2ADRA2ACHRM1 | |
| Hydrochloric Acid SCHEMBL2476701 | 0.89 | MAPK1 (0.60) | SLC6A2CYP2D6CHRM2ADRA2ACHRM1 | |
| Alcohol SCHEMBL7226806 | 0.88 | SLC6A2 (0.54) | SLC6A2CYP2D6CHRM2ADRA2ACHRM1 | |
| SCHEMBL9352969 | 0.84 | DRD3 (0.54) | SLC6A2CYP2D6CHRM2ADRA2ACHRM1 | |
| Fumaric Acid SCHEMBL9353301 | 0.84 | HRH1 (0.47) | SLC6A2CYP2D6CHRM2ADRA2ACHRM1 | |
| Acetamide SCHEMBL10487713 | 0.82 | SLC6A2 (0.58) | SLC6A2CYP2D6CHRM2ADRA2ACHRM1 | |
| SCHEMBL9563265 | 0.82 | CHRM2 (0.51) | SLC6A2CYP2D6CHRM2ADRA2ACHRM1 | |
| Fumaric Acid SCHEMBL9353458 | 0.82 | HRH1 (0.48) | SLC6A2CYP2D6CHRM2ADRA2ACHRM1 | |
| SCHEMBL14814326 | 0.81 | SLC6A2 (0.51) | SLC6A2CYP2D6CHRM2ADRA2ACHRM1 | |
| SCHEMBL8537416 | 0.81 | DRD3 (0.59) | SLC6A2CYP2D6CHRM2ADRA2ACHRM1 |
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-2011121099-A2 | PROCESS FOR THE PREPARATION OF 1-[4-(1,1-DIMETHYLETHYL)PHENYL]-4-[4-(DIPHENYLMETHOXY)-1-PIPERIDINYL]-1-BUTANONE AND ACID ADDITION SALTS THEREOF | AREVIPHARMA GMBH (DE) | 2011-10-06 | — | — | WO | disclosed |
| EP-2371817-A1 | Process for the preparation of 1-[4-(1,1-dimethylethyl)phenyl]-4-[4-(diphenylmethoxy)-1-piperidinyl]-1-butanone and acid addition salts thereof | Arevipharma GmbH (DE) | 2011-10-05 | — | — | EP | disclosed |