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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 4/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SNCA | P37840 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28831793 | 0.90 | LMNA (0.41) | ALDH1A1MAPTKDM4ESMN1; SMN2TDP1 | |
| SCHEMBL28487074 | 0.88 | TSHR (0.44) | ALDH1A1MAPTKDM4ESMN1; SMN2TDP1 | |
| SCHEMBL28457550 | 0.87 | MAPT (0.42) | ALDH1A1MAPTSMN1; SMN2LMNAKMT2A | |
| SCHEMBL2394920 | 0.81 | ALDH1A1 (0.48) | ALDH1A1MAPTKDM4ESMN1; SMN2TDP1 | |
| SCHEMBL30564825 | 0.79 | ALDH1A1 (0.47) | ALDH1A1MAPTKDM4ESMN1; SMN2TDP1 | |
| SCHEMBL28831790 | 0.78 | TSHR (0.42) | ALDH1A1MAPTKDM4ESMN1; SMN2TDP1 | |
| SCHEMBL29860030 | 0.78 | ALDH1A1 (0.45) | ALDH1A1MAPTKDM4ESMN1; SMN2TDP1 | |
| SCHEMBL29275155 | 0.77 | SMN1; SMN2 (0.42) | ALDH1A1MAPTSMN1; SMN2KMT2A | |
| SCHEMBL29275156 | 0.76 | MAPT (0.40) | ALDH1A1MAPTSMN1; SMN2KMT2A | |
| SCHEMBL28320356 | 0.75 | ALDH1A1 (0.47) | ALDH1A1MAPTSMN1; SMN2LMNAHTT |
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-114849786-B | Imidazole sulfonic acid ionic liquid-based palladium phosphine complex catalyst for synthesizing methyl propionate through ethylene hydro-methyl esterification | 中国科学院过程工程研究所 | 2023-09-05 | — | — | CN | disclosed |
| CN-114849786-A | Imidazole sulfonic acid ionic liquid based palladium-phosphine complex catalyst for synthesizing methyl propionate by ethylene methyl hydrogen esterification | 中国科学院过程工程研究所 | 2022-08-05 | — | — | CN | disclosed |