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 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | SNCA | P37840 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28515765 | 1.00 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| SCHEMBL1742196 | 1.00 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| SCHEMBL2512720 | 1.00 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| SCHEMBL2058122 | 0.91 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| SCHEMBL4344271 | 0.91 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| SCHEMBL4333669 | 0.91 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| Trifluoroethanol SCHEMBL7905832 | 0.88 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| SCHEMBL9536811 | 0.88 | ALDH1A1 (0.42) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| SCHEMBL2057213 | 0.86 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT | |
| SCHEMBL28520088 | 0.86 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2LMNAKDM4EMAPT |
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-112334509-A | Transesterification process for the simultaneous production of at least two different types of polycarbonate in a production plant | 科思创知识产权两合公司 | 2021-02-05 | — | — | CN | disclosed |