Known targets — ChEMBL curated mechanism
ABL1BMXBRAFBTKCHRNA4CHRNB2CSNK1EEGFRERBB2F10FLT1FLT3FLT4IGF1RINSRITKJAK3KDRKITOPRM1PARP1PARP2PDGFRBPIK3CDRAF1RETSLC18A2TECTXKdacAdacBdacCftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | HTT | P42858 | 3/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | CD4 | P01730 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL17044680 | 0.86 | TDP1 (0.60) | CYP2C19TDP1KMT2AMEN1ALDH1A1 | |
| SCHEMBL27857165 | 0.85 | TSHR (0.48) | CYP2C19TDP1KMT2AMEN1CYP2D6 | |
| Vinylsulfonic Acid SCHEMBL7905559 | 0.81 | MEN1 (0.35) | KMT2AMEN1LMNA | |
| Sulfuric Acid SCHEMBL10757867 | 0.81 | BRD4 (0.35) | KMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL28162131 | 0.81 | ALDH1A1 (0.39) | CYP2C19TDP1KMT2AMEN1PKM | |
| Toluene SCHEMBL28472583 | 0.80 | PKM (0.40) | KMT2APKMALDH1A1HTTMAPT | |
| Sulfuric Acid SCHEMBL28298163 | 0.80 | BRD4 (0.34) | KMT2AMEN1LMNA | |
| Sulfuric Acid SCHEMBL28298162 | 0.80 | BRD4 (0.34) | KMT2AMEN1LMNA | |
| SCHEMBL28395206 | 0.80 | CYP2C19 (0.54) | CYP2C19TDP1KMT2AMEN1CYP2D6 | |
| Methylpyrrolidone SCHEMBL9336610 | 0.79 | BRD4 (0.55) | CYP2C19TDP1KMT2AMEN1CYP2D6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111013657-B | Polymeric ionic liquid solid acid catalyst for catalyzing esterification reaction of trimethylolpropane and oleic acid and preparation method thereof | 常州大学 | 2023-03-21 | — | — | CN | disclosed |
| CN-113042099-B | Solid acid catalyst for catalytic esterification synthesis of gallic acid ester | 江南大学 | 2022-06-07 | — | — | CN | disclosed |