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 | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 1/20 | 0.50 |
| ▸ | LCK | P06239 | 1/20 | 0.50 |
| ▸ | FYN | P06241 | 1/20 | 0.50 |
| ▸ | TPMT | P51580 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | DAO | P14920 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | LDHA | P00338 | 1/20 | 0.39 |
| ▸ | LDHB | P07195 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Butanedione SCHEMBL19149843 | 0.86 | TSHR (0.50) | TPMTCES2CES1KDM4ECYP3A4 | |
| Acetic Acid SCHEMBL28160279 | 0.84 | PRSS1 (0.41) | FFAR3LCKFYNCES2CES1 | |
| Acetic Acid SCHEMBL27834373 | 0.79 | TPMT (0.63) | FFAR3LCKFYNTPMTKDM4E | |
| Acetic Acid Methyl Ester SCHEMBL27516763 | 0.78 | ALDH1A1 (0.59) | KDM4ECYP3A4ALDH1A1HPGDACHE | |
| Acetic Acid Methyl Ester SCHEMBL11748064 | 0.78 | ALDH1A1 (0.59) | KDM4ECYP3A4ALDH1A1HPGDACHE | |
| Methyl Alcohol SCHEMBL21899428 | 0.76 | CYP3A4 (0.50) | KDM4ECYP3A4ALDH1A1TSHRMAPK1 | |
| Benzene SCHEMBL9721457 | 0.76 | TSHR (0.50) | CES2CES1KDM4ECYP3A4ALDH1A1 | |
| Acetic Acid SCHEMBL160532 | 0.76 | — | — | |
| SCHEMBL39444 | 0.76 | TSHR (0.57) | KDM4ECYP3A4ALDH1A1TSHRMAPK1 | |
| SCHEMBL8109982 | 0.76 | TSHR (0.57) | KDM4ECYP3A4ALDH1A1TSHRMAPK1 |
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-105683244-B | Melt Polymerization Polycarbonate Quenching | 沙特基础全球技术有限公司 | 2018-09-25 | — | — | CN | disclosed |
| CN-105849154-B | It is quenched using the melt polymerization makrolon of inert gas saturation | 沙特基础工业全球技术有限公司 | 2018-03-09 | — | — | CN | disclosed |
| CN-107075098-A | It polymerize the method for end-capping polycarbonate and the end-capping polycarbonate from it | 沙特基础工业全球技术有限公司 | 2017-08-18 | — | — | CN | disclosed |