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 | 3/20 | 0.40 |
| ▸ | CHRNA4 known ✓ | P43681 | 3/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.43 |
| ▸ | MMP3 | P08254 | 1/20 | 0.43 |
| ▸ | MMP7 | P09237 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | PIM1 | P11309 | 4/20 | 0.41 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.41 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.41 |
| ▸ | GHSR | Q92847 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4823888 | 1.00 | MMP1 (0.43) | MMP1MMP3MMP7MMP9MMP13 | |
| SCHEMBL4828760 | 0.93 | MMP1 (0.44) | MMP1MMP3MMP7MMP9MMP13 | |
| SCHEMBL4829132 | 0.86 | ROCK2 (0.48) | MMP1MMP3MMP7MMP9MMP13 | |
| SCHEMBL4828761 | 0.83 | HTT (0.41) | MMP1MMP3MMP7MMP9MMP13 | |
| SCHEMBL4830536 | 0.83 | CHRNB2 (0.55) | CHRNB2CHRNA4 | |
| SCHEMBL16322173 | 0.83 | CHRNB2 (0.55) | CHRNB2CHRNA4 | |
| SCHEMBL29577432 | 0.83 | CHRNB2 (0.55) | CHRNB2CHRNA4 | |
| SCHEMBL4820774 | 0.83 | CHRNB2 (0.55) | CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL17728377 | 0.82 | CHRNB2 (0.54) | PIM1PIM3PIM2CHRNB2CHRNA4 | |
| Hydrochloric Acid SCHEMBL17728537 | 0.82 | CHRNB2 (0.54) | PIM1PIM3PIM2CHRNB2CHRNA4 |
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 |