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 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | ALB | P02768 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL27148200 | 0.94 | MCHR1 (0.46) | ALDH1A1LMNACYP2C9TDP1ALB | |
| SCHEMBL27136788 | 0.94 | MCHR1 (0.46) | ALDH1A1LMNACYP2C9TDP1ALB | |
| SCHEMBL21297027 | 0.85 | TSHR (0.53) | ALDH1A1TDP1TSHRSMN1; SMN2GAA | |
| Pentane SCHEMBL28482247 | 0.84 | ALDH1A1 (0.50) | ALDH1A1LMNACYP2C9TDP1ALB | |
| Hexane SCHEMBL7122950 | 0.84 | MCHR1 (0.53) | ALDH1A1LMNACYP2C9TDP1ALB | |
| SCHEMBL3189555 | 0.84 | ALDH1A1 (0.42) | ALDH1A1LMNACYP2C9TDP1ALB | |
| Heptane SCHEMBL8501523 | 0.83 | MCHR1 (0.56) | ALDH1A1LMNACYP2C9TDP1ALB | |
| Dodecane SCHEMBL7126605 | 0.83 | MCHR1 (0.56) | ALDH1A1LMNACYP2C9TDP1ALB | |
| Octane SCHEMBL356741 | 0.83 | MCHR1 (0.56) | ALDH1A1LMNACYP2C9TDP1ALB | |
| Nonane SCHEMBL28716314 | 0.83 | MCHR1 (0.56) | ALDH1A1LMNACYP2C9TDP1ALB |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115974936-A | Preparation method and application of high-valence nickel catalyst for acetylene hydrochlorination | 绍兴七轩新材料科技有限公司 | 2023-04-18 | — | — | CN | claimed |
| CN-115974936-A | Preparation method and application of high-valence nickel catalyst for acetylene hydrochlorination | 绍兴七轩新材料科技有限公司 | 2023-04-18 | — | — | CN | disclosed |
| US-20230030598-A1 | EPOXY RESIN COMPOSITION, MOLDING MATERIAL FOR FIBER-REINFORCED COMPOSITE MATERIAL, AND FIBER-REINFORCED COMPOSITE MATERIAL | TORAY INDUSTRIES, INC. (JP) | 2023-02-02 | — | — | US | disclosed |
| EP-4071214-A1 | EPOXY RESIN COMPOSITION, MOLDING MATERIAL FOR FIBER-REINFORCED COMPOSITE MATERIAL, AND FIBER-REINFORCED COMPOSITE MATERIAL | Toray Industries, Inc. (JP) | 2022-10-12 | — | — | EP | disclosed |
| CN-113559924-A | Ionic liquid catalyst and preparation method and application thereof | 绍兴七轩新材料科技有限公司 | 2021-10-29 | — | — | CN | disclosed |
| US-8093317-B2 | Antistatic thermoplastic resin composition and molded article composed thereof | TORAY INDUSTRIES, INC. (JP) | 2012-01-10 | — | — | US | disclosed |
| US-20090030122-A1 | ANTISTATIC THERMOPLASTIC RESIN COMPOSITION AND MOLDED ARTICLE COMPOSED THEREOF | TORAY INDUSTRIES, INC. (JP) | 2009-01-29 | — | — | US | disclosed |
| EP-1985661-A1 | ANTISTATIC THERMOPLASTIC RESIN COMPOSITION AND MOLDED ARTICLE MADE FROM SAME | TORAY INDUSTRIES, INC. (JP) | 2008-10-29 | — | — | EP | disclosed |