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 | 0.38 |
| ▸ | TNNC1 | P63316 | 5/20 | 0.44 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.44 |
| ▸ | S1PR4 | O95977 | 2/20 | 0.44 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.44 |
| ▸ | SGPL1 | O95470 | 1/20 | 0.44 |
| ▸ | GPR183 | P32249 | 1/20 | 0.44 |
| ▸ | CERS2 | Q96G23 | 1/20 | 0.44 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.44 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.39 |
| ▸ | GPR84 | Q9NQS5 | 6/20 | 0.38 |
| ▸ | PPARG | P37231 | 6/20 | 0.38 |
| ▸ | PPARD | Q03181 | 6/20 | 0.38 |
| ▸ | PPARA | Q07869 | 6/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
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 SCHEMBL9779161 | 0.91 | TNNC1 (0.49) | TNNC1S1PR1S1PR4S1PR3SGPL1 | |
| Acetic Acid SCHEMBL2529015 | 0.89 | FDPS (0.46) | FDPSAKR1B1GPR84PPARGPPARD | |
| SCHEMBL1170515 | 0.89 | TNNC1 (0.52) | TNNC1S1PR1S1PR4S1PR3SGPL1 | |
| SCHEMBL141848 | 0.89 | MEN1 (0.47) | TNNC1S1PR1S1PR4S1PR3SGPL1 | |
| Octanoic Acid SCHEMBL9774208 | 0.84 | GPR84 (0.63) | AKR1B1GPR84PPARGPPARDPPARA | |
| SCHEMBL1117297 | 0.84 | TNNC1 (0.44) | TNNC1S1PR1S1PR4S1PR3SGPL1 | |
| SCHEMBL1117541 | 0.84 | TNNC1 (0.48) | TNNC1S1PR1S1PR4S1PR3SGPL1 | |
| Sulfuric Acid SCHEMBL7881891 | 0.83 | FDPS (0.42) | TNNC1S1PR1S1PR4S1PR3SGPL1 | |
| SCHEMBL1117435 | 0.82 | TNNC1 (0.52) | TNNC1S1PR1S1PR4S1PR3SGPL1 | |
| SCHEMBL1117625 | 0.82 | TNNC1 (0.56) | TNNC1S1PR1S1PR4S1PR3SGPL1 |
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-3810836-A1 | FINISH COMPOSITION | Hexcel Corporation (US) | 2021-04-28 | — | — | EP | disclosed |
| US-5726241-A | Finishing oil for precursor for high performance carbon fibers and precursor | HEXCEL CORPORATION (US) | 1998-03-10 | — | — | US | disclosed |
| US-5571442-A | SILICONE OIL, DICARBOXYLIC ACID MONOESTER EMULSIFIER, AMINOCARBOXYLIC ACID | MATSUMOTO YUSHI-SEIYAKU CO., LTD. (JP) | 1996-11-05 | — | — | US | disclosed |