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 | 7/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | ALB | P02768 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | SNCA | P37840 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL7528406 | 0.88 | ALDH1A1 (0.44) | ALDH1A1CYP2C9LMNATDP1ALB | |
| SCHEMBL28656772 | 0.87 | ALDH1A1 (0.43) | ALDH1A1CYP2C9LMNATDP1ALB | |
| Hexane SCHEMBL7122950 | 0.86 | MCHR1 (0.53) | ALDH1A1CYP2C9LMNATDP1ALB | |
| Pentane SCHEMBL28482247 | 0.86 | ALDH1A1 (0.50) | ALDH1A1CYP2C9LMNATDP1ALB | |
| SCHEMBL28078444 | 0.85 | TSHR (0.55) | ALDH1A1TDP1TSHRSMN1; SMN2CYP2C19 | |
| Heptane SCHEMBL8501523 | 0.84 | MCHR1 (0.56) | ALDH1A1CYP2C9LMNATDP1ALB | |
| Octane SCHEMBL356741 | 0.84 | MCHR1 (0.56) | ALDH1A1CYP2C9LMNATDP1ALB | |
| Decane SCHEMBL17004268 | 0.84 | MCHR1 (0.56) | ALDH1A1CYP2C9LMNATDP1ALB | |
| Dodecane SCHEMBL7126605 | 0.84 | MCHR1 (0.56) | ALDH1A1CYP2C9LMNATDP1ALB | |
| Octane SCHEMBL8462698 | 0.84 | MCHR1 (0.56) | ALDH1A1CYP2C9LMNATDP1ALB |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117816238-A | Polyethylene nanofiber supported gold-ionic liquid catalyst for catalyzing hydrochlorination of acetylene as well as preparation and application thereof | 浙江工业大学 | 2024-04-05 | — | — | CN | claimed |
| CN-115974936-B | Preparation method and application of high-valence nickel catalyst for hydrochlorination of acetylene | 绍兴七轩新材料科技有限公司 | 2023-09-08 | — | — | CN | claimed |
| CN-115920970-A | Heterobinuclear copper-based catalyst for synthesizing vinyl chloride and preparation method and application thereof | 浙江工业大学 | 2023-04-07 | — | — | CN | claimed |
| CN-117816238-A | Polyethylene nanofiber supported gold-ionic liquid catalyst for catalyzing hydrochlorination of acetylene as well as preparation and application thereof | 浙江工业大学 | 2024-04-05 | — | — | CN | disclosed |
| CN-115974936-B | Preparation method and application of high-valence nickel catalyst for hydrochlorination of acetylene | 绍兴七轩新材料科技有限公司 | 2023-09-08 | — | — | CN | disclosed |
| CN-115920970-A | Heterobinuclear copper-based catalyst for synthesizing vinyl chloride and preparation method and application thereof | 浙江工业大学 | 2023-04-07 | — | — | CN | disclosed |