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 | 4/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.38 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 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 | |
|---|---|---|---|---|
| SCHEMBL29859863 | 0.93 | ALDH1A1 (0.46) | ALDH1A1POLBKMT2ALMNASMN1; SMN2 | |
| SCHEMBL29859880 | 0.89 | TLR8 (0.46) | ALDH1A1POLBKMT2ALMNASMN1; SMN2 | |
| SCHEMBL29860030 | 0.88 | ALDH1A1 (0.45) | ALDH1A1KMT2ALMNASMN1; SMN2KDM4E | |
| SCHEMBL1792059 | 0.87 | ALDH1A1 (0.63) | ALDH1A1POLBKMT2ALMNASMN1; SMN2 | |
| SCHEMBL29402099 | 0.84 | TSHR (0.53) | ALDH1A1KMT2ALMNASMN1; SMN2KDM4E | |
| SCHEMBL2396708 | 0.84 | TSHR (0.50) | ALDH1A1POLBLMNASMN1; SMN2KDM4E | |
| SCHEMBL4361611 | 0.81 | ALDH1A1 (0.61) | ALDH1A1POLBKMT2ALMNATLR8 | |
| SCHEMBL28831793 | 0.80 | LMNA (0.41) | ALDH1A1POLBKMT2ALMNASMN1; SMN2 | |
| SCHEMBL30564825 | 0.79 | ALDH1A1 (0.47) | ALDH1A1KMT2ALMNASMN1; SMN2KDM4E | |
| SCHEMBL31037659 | 0.78 | TSHR (0.40) | ALDH1A1POLBKMT2ALMNASMN1; SMN2 |
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-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 | claimed |
| 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 | claimed |
| 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 |