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 | 4/20 | 0.47 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | DHODH | Q02127 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4343843 | 1.00 | CYP2D6 (0.47) | CYP2D6STAT3CYP1A2ALDH1A1LMNA | |
| SCHEMBL2548351 | 0.94 | STAT3 (0.43) | CYP2D6STAT3CYP1A2ALDH1A1KDM4E | |
| SCHEMBL4621606 | 0.94 | STAT3 (0.43) | CYP2D6STAT3CYP1A2ALDH1A1KDM4E | |
| SCHEMBL2548348 | 0.94 | STAT3 (0.43) | CYP2D6STAT3CYP1A2ALDH1A1KDM4E | |
| Acetone SCHEMBL8766802 | 0.90 | STAT3 (0.43) | CYP2D6STAT3CYP1A2ALDH1A1KDM4E | |
| Acetone SCHEMBL9451549 | 0.90 | STAT3 (0.43) | CYP2D6STAT3CYP1A2ALDH1A1KDM4E | |
| Acetone SCHEMBL8568091 | 0.90 | STAT3 (0.43) | CYP2D6STAT3CYP1A2ALDH1A1KDM4E | |
| SCHEMBL19067491 | 0.88 | STAT3 (0.39) | CYP2D6STAT3CYP1A2ALDH1A1LMNA | |
| SCHEMBL28534672 | 0.86 | ALDH1A1 (0.41) | CYP2D6CYP1A2ALDH1A1LMNAKDM4E | |
| SCHEMBL140992 | 0.86 | STAT3 (0.46) | CYP2D6STAT3ALDH1A1CYP2C19CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-20090117314-A1 | PROCESS FOR THE PREPARATION OF POLYCARBONATE BY THE MELT TRANSESTERIFICATION METHOD | BAYER MATERIALSCIENCE AG (DE) | 2009-05-07 | — | — | US | disclosed |