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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.55 |
| ▸ | FAAH | O00519 | 5/20 | 0.45 |
| ▸ | TSHR | P16473 | 4/20 | 0.44 |
| ▸ | RECQL | P46063 | 2/20 | 0.44 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 5/20 | 0.43 |
| ▸ | CES1 | P23141 | 4/20 | 0.43 |
| ▸ | PPARG | P37231 | 4/20 | 0.41 |
| ▸ | PPARD | Q03181 | 4/20 | 0.41 |
| ▸ | PPARA | Q07869 | 4/20 | 0.41 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.41 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.41 |
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 SCHEMBL28730807 | 0.98 | EPHX2 (0.54) | EPHX2FAAHTSHRRECQLGLA | |
| Acetic Acid SCHEMBL29141866 | 0.94 | EPHX2 (0.50) | EPHX2FAAHTSHRRECQLGLA | |
| Bicarbonate SCHEMBL28494347 | 0.92 | EPHX2 (0.55) | EPHX2FAAHTSHRRECQLGLA | |
| Acetic Acid SCHEMBL28201981 | 0.92 | EPHX2 (0.55) | EPHX2FAAHTSHRRECQLGLA | |
| Bicarbonate SCHEMBL5377762 | 0.92 | EPHX2 (0.55) | EPHX2FAAHTSHRRECQLGLA | |
| Acetic Acid SCHEMBL27751674 | 0.90 | EPHX2 (0.54) | EPHX2FAAHTSHRRECQLGLA | |
| Methyl Alcohol SCHEMBL25250336 | 0.89 | EPHX2 (0.56) | EPHX2FAAHTSHRRECQLGLA | |
| Methyl Alcohol SCHEMBL284907 | 0.89 | EPHX2 (0.56) | EPHX2FAAHTSHRRECQLGLA | |
| Methyl Alcohol SCHEMBL10778854 | 0.89 | EPHX2 (0.56) | EPHX2FAAHTSHRRECQLGLA | |
| Methyl Alcohol SCHEMBL135872 | 0.89 | EPHX2 (0.56) | EPHX2FAAHTSHRRECQLGLA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2166838-B1 | TOPICAL DENTAL SOLUTION OF CHLORHEXIDINE IN SUMATRA BENZOIN BP/EP AND METHODS OF MANUFACTURING AND EVALUATING SAME | CHX TECH INC (CA) | 2018-10-24 | — | — | EP | disclosed |
| EP-2166838-A2 | TOPICAL DENTAL SOLUTION OF CHLORHEXIDINE IN SUMATRA BENZOIN BP/EP AND METHODS OF MANUFACTURING AND EVALUATING SAME | CHX Technologies Inc. (CA) | 2010-03-31 | — | — | EP | disclosed |
| WO-2008156559-A2 | TOPICAL DENTAL SOLUTION OF CHLORHEXIDINE IN SUMATRA BENZOIN BP/EP AND METHODS OF MANUFACTURING AND EVALUATING SAME | CHX TECHNOLOGIES, INC. (CA) | 2008-12-24 | — | — | WO | disclosed |