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 | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 2/20 | 0.36 |
| ▸ | CHRNA4 known ✓ | P43681 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.37 |
| ▸ | LIPE | Q05469 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.35 |
| ▸ | ACR | P10323 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | HTR6 | P50406 | 1/20 | 0.35 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL21381801 | 1.00 | BCHE (0.41) | BCHEACHEEPHX2EPHX1FFAR4 | |
| SCHEMBL21381760 | 0.88 | BCHE (0.41) | BCHEACHEEPHX2EPHX1FFAR4 | |
| SCHEMBL30567964 | 0.88 | BCHE (0.41) | BCHEACHEEPHX2EPHX1FFAR4 | |
| SCHEMBL21382019 | 0.83 | HCRTR2 (0.41) | BCHEACHEEPHX2EPHX1MEN1 | |
| SCHEMBL23211909 | 0.79 | S100A9 (0.39) | EPHX2EPHX1CYP2D6KDM4E | |
| SCHEMBL21381804 | 0.77 | LIPE (0.41) | BCHEACHEEPHX2EPHX1FFAR4 | |
| SCHEMBL27154213 | 0.75 | BCHE (0.52) | BCHEACHEEPHX2EPHX1FFAR4 | |
| SCHEMBL21381751 | 0.75 | CYP2D6 (0.36) | BCHEACHEEPHX2EPHX1FFAR4 | |
| SCHEMBL25323656 | 0.75 | EPHX1 (0.36) | BCHEACHEEPHX2EPHX1LIPE | |
| SCHEMBL25325419 | 0.74 | ENPP2 (0.41) | BCHEACHEEPHX2EPHX1FFAR4 |
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-111936503-B | Oxazine monoacylglycerol lipase (MAGL) inhibitors | 豪夫迈·罗氏有限公司 | 2023-09-12 | — | — | CN | disclosed |