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 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNA7 | P36544 | 9/20 | 0.52 |
| ▸ | HTR3E | A5X5Y0 | 6/20 | 0.52 |
| ▸ | HTR3B | O95264 | 6/20 | 0.52 |
| ▸ | HTR3A | P46098 | 6/20 | 0.52 |
| ▸ | HTR3D | Q70Z44 | 6/20 | 0.52 |
| ▸ | HTR3C | Q8WXA8 | 6/20 | 0.52 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 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 | |
|---|---|---|---|---|
| SCHEMBL7225775 | 1.00 | CHRNA7 (0.52) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7123351 | 0.89 | CHRNA7 (0.63) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL6492493 | 0.84 | CHRNA7 (0.59) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7061849 | 0.84 | CHRNA7 (0.56) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7224608 | 0.82 | CHRNA7 (0.47) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7114613 | 0.80 | CHRNA7 (0.47) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7224739 | 0.79 | CHRNA7 (0.50) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7061379 | 0.79 | ALDH1A1 (0.61) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7120535 | 0.79 | USP30 (0.46) | CHRNA7HTR3EHTR3BHTR3AHTR3D | |
| SCHEMBL7061969 | 0.74 | ALDH1A1 (0.46) | CHRNA7HTR3EHTR3BHTR3AHTR3D |
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-6492385-B2 | CENTRAL NERVOUS SYSTEM DISORDERS | PHARMACIA & UPJOHN COMPANY | 2002-12-10 | — | — | US | disclosed |