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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 1/20 | 0.48 |
| ▸ | HTR1A | P08908 | 1/20 | 0.48 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.48 |
| ▸ | CCKAR | P32238 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| Methyl Alcohol SCHEMBL11268332 | 0.86 | CYP3A4 (0.52) | KDM4EALDH1A1MAPTL3MBTL1FFAR1 | |
| Carbamic Acid SCHEMBL26695414 | 0.85 | HPGDS (0.54) | KDM4EALDH1A1GAAMAPTHDAC2 | |
| Propionic Acid SCHEMBL5934734 | 0.84 | FFAR1 (0.51) | KDM4EALDH1A1MAPTFFAR1LTA4H | |
| SCHEMBL31124 | 0.84 | CYP3A4 (0.58) | KDM4EALDH1A1MAPTL3MBTL1CYP2E1 | |
| SCHEMBL1464252 | 0.83 | — | — | |
| Acetic Acid SCHEMBL9711149 | 0.82 | HDAC2 (0.54) | KDM4EALDH1A1LMNAGLAGAA | |
| Benzoic Acid SCHEMBL26966093 | 0.82 | DAO (0.54) | KDM4EMAPTL3MBTL1HDAC2HDAC3 | |
| SCHEMBL1133065 | 0.82 | MAPT (0.53) | KDM4EALDH1A1LMNAGLAGAA | |
| SCHEMBL30163538 | 0.81 | CYP3A4 (0.56) | KDM4EALDH1A1MAPTL3MBTL1CYP2E1 | |
| Hydrochloric Acid SCHEMBL8091091 | 0.81 | CYP3A4 (0.56) | KDM4EALDH1A1MAPTL3MBTL1CYP2E1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1616432-A | Compound,its use and pharmaceutical compositions comprising same | ELAN PHARM INC (US) | 2005-05-18 | — | — | CN | disclosed |
| CN-1171878-C | Compounds, their use and pharmaceutical compositions containing them | ������˹ҩƷ��˾ | 2004-10-20 | — | — | CN | disclosed |
| CN-1278166-A | Mixtures of enanthiomers of aminocyclohexylamides to produce simultaneous analgesia with local anaesthesia or antiarrhythmia | NORTRAN PHARMACEUTICALS INC (CA) | 2000-12-27 | — | — | CN | disclosed |
| CN-1242007-A | Cycloalkyl, lactam, lactone and related compounds, pharmaceutical compositions comprising such compounds, and methods of inhibiting beta amyloid peptide release and/or its synthesis using such compounds | ELAND PHARMACEUTICAL CORP (US) | 2000-01-19 | — | — | CN | disclosed |