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 | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.51 |
| ▸ | PKM | P14618 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | YAP1 | P46937 | 1/20 | 0.43 |
| ▸ | TEAD4 | Q15561 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2761059 | 0.86 | CYP2D6 (0.44) | CYP2D6PKMALDH1A1HTTKDM4E | |
| SCHEMBL28684460 | 0.85 | CYP2D6 (0.43) | CYP2D6PKMALDH1A1HTTKDM4E | |
| SCHEMBL29991938 | 0.82 | GAA (0.62) | CYP2D6PKMALDH1A1HTTKDM4E | |
| SCHEMBL1705904 | 0.82 | GAA (0.62) | CYP2D6PKMALDH1A1HTTKDM4E | |
| SCHEMBL31313 | 0.82 | GAA (0.62) | CYP2D6PKMALDH1A1HTTKDM4E | |
| SCHEMBL5068661 | 0.82 | GAA (0.62) | CYP2D6PKMALDH1A1HTTKDM4E | |
| P-Xylene SCHEMBL8660591 | 0.82 | GAA (0.62) | CYP2D6PKMALDH1A1HTTKDM4E | |
| SCHEMBL11432043 | 0.82 | GAA (0.62) | CYP2D6PKMALDH1A1HTTKDM4E | |
| SCHEMBL34 | 0.82 | GAA (0.62) | CYP2D6PKMALDH1A1HTTKDM4E | |
| SCHEMBL7635097 | 0.80 | CYP2D6 (0.53) | CYP2D6PKMALDH1A1HTTKDM4E |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118666701-A | Preparation method of acyl amino acid surfactant | 广州花语精细化工有限公司 | 2024-09-20 | — | — | CN | claimed |
| CN-117886673-A | Preparation method of 2, 6-di-tert-butyl-p-cresol | 南京晶典抗氧化技术研究院有限公司 | 2024-04-16 | — | — | CN | claimed |
| CN-116283858-A | Method for preparing 9, 9-bis (3, 4-dicarboxyphenyl) fluorene dianhydride | 天津众泰材料科技有限公司 | 2023-06-23 | — | — | CN | claimed |
| CN-116693478-B | Method for preparing 2, 3-benzofuran by using halogen acid catalytic furoic acid one-pot method | 浙江大学 | 2024-12-13 | — | — | CN | disclosed |
| CN-118666701-A | Preparation method of acyl amino acid surfactant | 广州花语精细化工有限公司 | 2024-09-20 | — | — | CN | disclosed |
| CN-117886673-A | Preparation method of 2, 6-di-tert-butyl-p-cresol | 南京晶典抗氧化技术研究院有限公司 | 2024-04-16 | — | — | CN | disclosed |
| CN-113813994-B | Ionic liquid catalyst for catalytic synthesis of ethyl acetate, application of ionic liquid catalyst and method for catalytic synthesis of ethyl acetate | 兖矿水煤浆气化及煤化工国家工程研究中心有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-116693478-A | Method for preparing 2,3-benzofuran by using halogen acid catalytic furoic acid one-pot method | 浙江大学 | 2023-09-05 | — | — | CN | disclosed |
| CN-116283858-A | Method for preparing 9, 9-bis (3, 4-dicarboxyphenyl) fluorene dianhydride | 天津众泰材料科技有限公司 | 2023-06-23 | — | — | CN | disclosed |
| CN-113813994-A | Ionic liquid catalyst for catalytic synthesis of ethyl acetate, application of ionic liquid catalyst and method for catalytic synthesis of ethyl acetate | 兖矿水煤浆气化及煤化工国家工程研究中心有限公司 | 2021-12-21 | — | — | CN | disclosed |
| CN-108003915-B | Composite solvent and method for extracting and separating aromatic hydrocarbon and alkane in diesel oil fraction | 中国石油化工股份有限公司 | 2020-05-19 | — | — | CN | disclosed |
| CN-102296461-A | Method for improving strength of carbon fiber | — | 2011-12-28 | — | — | CN | disclosed |
| CN-102296457-A | Method for improving strength of carbon fiber | — | 2011-12-28 | — | — | CN | disclosed |