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 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | SNCA | P37840 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP9 | P14780 | 1/20 | 0.40 |
| ▸ | MMP8 | P22894 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29249377 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL28704841 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL28618062 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2SMN1; SMN2LMNA | |
| Pentaethylene Glycol SCHEMBL3466434 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2SMN1; SMN2LMNA | |
| Hexaethylene Glycol SCHEMBL11280667 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2SMN1; SMN2LMNA | |
| Tetraethylene Glycol SCHEMBL1145155 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2SMN1; SMN2LMNA | |
| Hexaethylene Glycol SCHEMBL4379136 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2SMN1; SMN2LMNA | |
| Tetraethylene Glycol SCHEMBL3062384 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2SMN1; SMN2LMNA | |
| Triethylene Glycol SCHEMBL6130636 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2SMN1; SMN2LMNA | |
| SCHEMBL27633211 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP2C9CYP1A2SMN1; SMN2LMNA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117126068-A | Compound and preparation method and application thereof | 中国石油化工股份有限公司 | 2023-11-28 | — | — | CN | disclosed |