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 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | PLA2G2C | Q5R387 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 5/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | RARB | P10826 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 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 SCHEMBL3380365 | 1.00 | TSHR (0.45) | TSHRALDH1A1CES2PLA2G2CKDM4E | |
| Acetic Acid SCHEMBL3379468 | 0.90 | GPR84 (0.47) | TSHRALDH1A1CES2PLA2G2CGPR84 | |
| SCHEMBL3383237 | 0.89 | TSHR (0.54) | TSHRALDH1A1CES2USP2CYP3A4 | |
| Acetic Acid SCHEMBL27559434 | 0.88 | TSHR (0.48) | TSHRALDH1A1CES2PLA2G2CKDM4E | |
| Acetic Acid SCHEMBL3380950 | 0.88 | HSD17B10 (0.41) | TSHRALDH1A1CES2PLA2G2CKDM4E | |
| Acetic Acid SCHEMBL28723481 | 0.85 | TSHR (0.59) | TSHRALDH1A1CES2CYP3A4HPGD | |
| Acetic Acid SCHEMBL37245 | 0.85 | TSHR (0.59) | TSHRALDH1A1CES2CYP3A4HPGD | |
| Acetic Acid SCHEMBL9616198 | 0.85 | TSHR (0.59) | TSHRALDH1A1CES2CYP3A4HPGD | |
| Acetic Acid SCHEMBL1996435 | 0.83 | TSHR (0.56) | TSHRALDH1A1CES2CYP3A4HPGD | |
| Acetic Acid SCHEMBL4617603 | 0.83 | TSHR (0.56) | TSHRALDH1A1CES2CYP3A4HPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-105793361-A | Resin composition, thermally-conductive cured product, silicon compound, silane coupling agent composition and carrier | 株式会社ADEKA | 2016-07-20 | — | — | CN | disclosed |