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 | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 5/20 | 0.49 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.45 |
| ▸ | CKS1B | P61024 | 1/20 | 0.42 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HTR2C | P28335 | 3/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 5/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 3/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 3/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL11255915 | 0.89 | NISCH (0.48) | NISCHMAOBMAOACYP2D6KDM4E | |
| SCHEMBL11264214 | 0.84 | NISCH (0.68) | NISCHMAOBMAOACYP2D6TSHR | |
| SCHEMBL11161996 | 0.82 | NISCH (0.50) | NISCHMAOBMAOACYP2D6KDM4E | |
| Fenmetozole SCHEMBL11252776 | 0.81 | ADRA1A (0.48) | NISCHMAOBMAOACYP2D6KDM4E | |
| SCHEMBL27602928 | 0.74 | BCHE (0.47) | CYP2D6KDM4ETSHRNFKB1CKS1B | |
| SCHEMBL11267568 | 0.72 | HTR2C (0.39) | CKS1BSKP2HTR2CGAAFFAR1 | |
| SCHEMBL8478297 | 0.71 | NISCH (0.58) | NISCHMAOBMAOAADRA1AADRA1D | |
| SCHEMBL11255453 | 0.70 | NISCH (0.69) | NISCHMAOBMAOACYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL11253888 | 0.70 | NISCH (0.60) | NISCHMAOBMAOALMNAADRA1A | |
| Hydrochloric Acid SCHEMBL5203127 | 0.70 | NISCH (0.53) | NISCHMAOBMAOALMNAADRA1A |
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-4343808-A | Method of inhibiting sickling of sickle erythrocytes | THE DOW CHEMICAL COMPANY (US) | 1982-08-10 | — | — | US | disclosed |