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 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.56 |
| ▸ | FAAH | O00519 | 5/20 | 0.55 |
| ▸ | CES1 | P23141 | 5/20 | 0.55 |
| ▸ | CES2 | O00748 | 2/20 | 0.55 |
| ▸ | PPARG | P37231 | 5/20 | 0.46 |
| ▸ | PPARD | Q03181 | 5/20 | 0.46 |
| ▸ | PPARA | Q07869 | 5/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | TLR2 | O60603 | 2/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | FABP4 | P15090 | 2/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.46 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8778769 | 0.87 | CA2 (0.68) | CA2FAAHCES1CES2TSHR | |
| SCHEMBL8778833 | 0.87 | CA2 (0.68) | CA2FAAHCES1CES2TSHR | |
| SCHEMBL5379286 | 0.87 | CA2 (0.68) | CA2FAAHCES1CES2TSHR | |
| SCHEMBL11058951 | 0.87 | CA2 (0.68) | CA2FAAHCES1CES2TSHR | |
| SCHEMBL5586100 | 0.87 | CA2 (0.68) | CA2FAAHCES1CES2TSHR | |
| SCHEMBL10336189 | 0.87 | CA2 (0.68) | CA2FAAHCES1CES2TSHR | |
| SCHEMBL8778750 | 0.87 | CA2 (0.68) | CA2FAAHCES1CES2TSHR | |
| SCHEMBL395321 | 0.87 | CA2 (0.68) | CA2FAAHCES1CES2TSHR | |
| SCHEMBL350042 | 0.87 | CA2 (0.68) | CA2FAAHCES1CES2TSHR | |
| SCHEMBL8778763 | 0.87 | CA2 (0.68) | CA2FAAHCES1CES2TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0186436-B1 | LIQUID CLEANSING COMPOSITION | WARNER-LAMBERT COMPANY (US) | 1992-03-18 | — | — | EP | claimed |