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 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | LPAR3 | Q9UBY5 | 3/20 | 0.46 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.46 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.46 |
| ▸ | NAAA | Q02083 | 1/20 | 0.46 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.45 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 3/20 | 0.42 |
| ▸ | PPARD | Q03181 | 3/20 | 0.42 |
| ▸ | PPARA | Q07869 | 3/20 | 0.42 |
| ▸ | GPR84 | Q9NQS5 | 2/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.42 |
| ▸ | TLR2 | O60603 | 1/20 | 0.42 |
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 SCHEMBL8908772 | 0.98 | ALDH1A1 (0.58) | ALDH1A1CES2TSHRLPAR3LPAR1 | |
| Acetic Acid SCHEMBL9788284 | 0.92 | ALDH1A1 (0.54) | ALDH1A1CES2TSHRHCAR2AKR1B1 | |
| Butyric Acid SCHEMBL31040461 | 0.84 | ALDH1A1 (0.65) | ALDH1A1TSHRAKR1B1PPARGPPARD | |
| SCHEMBL57335 | 0.84 | — | — | |
| Stearic Acid SCHEMBL28718681 | 0.82 | ALDH1A1 (0.83) | ALDH1A1TSHRAKR1B1PPARGPPARD | |
| Acetic Acid SCHEMBL3264543 | 0.82 | CES2 (0.64) | ALDH1A1CES2TSHRNAAAHCAR2 | |
| Benzene SCHEMBL28875519 | 0.81 | LTA4H (0.45) | ALDH1A1TSHRLPAR3LPAR1LPAR2 | |
| Acetic Acid SCHEMBL1860419 | 0.81 | — | — | |
| SCHEMBL10436399 | 0.81 | THRB (0.53) | ALDH1A1TSHRLPAR3LPAR1LPAR2 | |
| SCHEMBL13912064 | 0.81 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111684357-A | Colored photosensitive resin composition, and color filter element and display device manufactured using same | 东友精细化工有限公司 | 2020-09-18 | — | — | CN | disclosed |
| CN-101802159-B | Anti-microbial composition | BYOTROL PLC | 2013-03-27 | — | — | CN | disclosed |
| CN-101802159-A | Antimicrobial composition | BYOTROL PLC | 2010-08-11 | — | — | CN | disclosed |