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 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.58 |
| ▸ | CES2 | O00748 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 6/20 | 0.50 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.50 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.50 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.50 |
| ▸ | NAAA | Q02083 | 1/20 | 0.50 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.47 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.47 |
| ▸ | PPARG | P37231 | 6/20 | 0.46 |
| ▸ | PPARD | Q03181 | 6/20 | 0.46 |
| ▸ | PPARA | Q07869 | 6/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.46 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 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 |
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 SCHEMBL27789593 | 0.98 | ALDH1A1 (0.54) | ALDH1A1CES2TSHRLPAR3LPAR1 | |
| Acetic Acid SCHEMBL9788284 | 0.90 | ALDH1A1 (0.54) | ALDH1A1CES2TSHRHCAR2PPARG | |
| Stearic Acid SCHEMBL28718681 | 0.85 | ALDH1A1 (0.83) | ALDH1A1TSHRPPARGPPARDPPARA | |
| SCHEMBL106029 | 0.84 | THRB (0.53) | ALDH1A1TSHRLPAR3LPAR1LPAR2 | |
| SCHEMBL10436399 | 0.84 | THRB (0.53) | ALDH1A1TSHRLPAR3LPAR1LPAR2 | |
| SCHEMBL14578207 | 0.84 | THRB (0.53) | ALDH1A1TSHRLPAR3LPAR1LPAR2 | |
| SCHEMBL13912064 | 0.84 | THRB (0.53) | ALDH1A1TSHRLPAR3LPAR1LPAR2 | |
| SCHEMBL14205807 | 0.84 | THRB (0.53) | ALDH1A1TSHRLPAR3LPAR1LPAR2 | |
| SCHEMBL200631 | 0.84 | THRB (0.53) | ALDH1A1TSHRLPAR3LPAR1LPAR2 | |
| SCHEMBL200477 | 0.84 | THRB (0.53) | ALDH1A1TSHRLPAR3LPAR1LPAR2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5700772-A | FOAMABLE SOAP WITH LOW IRRITATION TO SKIN | KAO CORPORATION (JP) | 1997-12-23 | — | — | US | disclosed |