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 | 0.48 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | ACR | P10323 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11161996 | 0.89 | NISCH (0.50) | NISCHMAOAMAOBCYP2D6KDM4E | |
| SCHEMBL11267562 | 0.89 | NISCH (0.49) | NISCHMAOAMAOBCYP2D6KDM4E | |
| Fenmetozole SCHEMBL11252776 | 0.83 | ADRA1A (0.48) | NISCHMAOAMAOBALDH1A1CYP2D6 | |
| SCHEMBL11255453 | 0.82 | NISCH (0.69) | NISCHMAOAMAOBCYP2D6TSHR | |
| Hydrochloric Acid SCHEMBL11253888 | 0.76 | NISCH (0.60) | NISCHMAOAMAOBADRA1ALMNA | |
| Isonicotinonitrile SCHEMBL29983434 | 0.71 | GAA (0.49) | ALDH1A1PRSS1ACRKDM4ENFKB1 | |
| SCHEMBL7141315 | 0.71 | LMNA (0.45) | NISCHALDH1A1CYP2D6KDM4ECYP3A4 | |
| SCHEMBL3168948 | 0.71 | NISCH (0.73) | NISCHMAOAMAOBCYP2D6TSHR | |
| SCHEMBL15367675 | 0.70 | MAOB (0.59) | MAOBALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL22193397 | 0.70 | MAOB (0.59) | MAOBALDH1A1MAPTSMN1; SMN2 |
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 |