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 | |
|---|---|---|---|---|
| ▸ | CHRNB2 known ✓ | P17787 | 3/20 | 0.41 |
| ▸ | CHRNA4 known ✓ | P43681 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CHRNB4 | P30926 | 3/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 3/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.39 |
| ▸ | DPP4 | P27487 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL4827568 | 1.00 | CHRNB2 (0.41) | CHRNB2CHRNA4POLBCHRNB4CHRNA3 | |
| SCHEMBL4826782 | 1.00 | CHRNB2 (0.41) | CHRNB2CHRNA4POLBCHRNB4CHRNA3 | |
| SCHEMBL4823839 | 0.93 | CHRNB2 (0.44) | CHRNB2CHRNA4POLBCHRNB4CHRNA3 | |
| SCHEMBL4827701 | 0.91 | CHRNB4 (0.46) | CHRNB2CHRNA4POLBCHRNB4CHRNA3 | |
| Hydrochloric Acid SCHEMBL7489408 | 0.91 | CHRNB2 (0.40) | CHRNB2CHRNA4POLBCHRNB4CHRNA3 | |
| SCHEMBL4825516 | 0.88 | GPR119 (0.43) | CHRNB2CHRNA4POLBCHRNB4CHRNA3 | |
| SCHEMBL4827682 | 0.83 | POLB (0.41) | POLBCHRM1ALDH1A1CYP2D6 | |
| SCHEMBL4828961 | 0.83 | CHRNB2 (0.55) | CHRNB2CHRNA4CHRNB4CHRNA3PIM1 | |
| SCHEMBL4826795 | 0.83 | CHRNB2 (0.55) | CHRNB2CHRNA4CHRNB4CHRNA3PIM1 | |
| SCHEMBL4827617 | 0.83 | CHRNB2 (0.55) | CHRNB2CHRNA4CHRNB4CHRNA3PIM1 |
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-7332504-B2 | Heterocyclic substituted aminoazacycles useful as central nervous system agents | ABBOTT LABORATORIES (US) | 2008-02-19 | — | — | US | disclosed |