Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | PIM1 | P11309 | 17/20 | 0.45 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 2/20 | 0.42 |
| ▸ | KDM2B | Q8NHM5 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4136835 | 0.84 | SCD (0.46) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4134644 | 0.84 | CYP2C9 (0.43) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4140809 | 0.82 | KDM2B (0.45) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4931795 | 0.79 | KDM2B (0.49) | CYP3A4CYP2C9CYP2C19CYP1A2KDM2B | |
| SCHEMBL4931859 | 0.78 | SCD (0.42) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4131497 | 0.78 | HRH3 (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4141330 | 0.77 | KDM2B (0.43) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4136921 | 0.76 | KDM2B (0.44) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4935040 | 0.75 | KDM2B (0.48) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 | |
| SCHEMBL4935533 | 0.75 | KDM2B (0.43) | CYP3A4CYP2D6CYP2C9CYP2C19CYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2021004-A2 | SUBSTITUTED AZASPIRO DERIVATIVES | NEUROGEN CORPORATION (US) | 2009-02-11 | — | — | EP | claimed |
| WO-2007133561-A2 | SUBSTITUTED AZASPIRO DERIVATIVES | NEUROGEN CORPORATION (US) | 2007-11-22 | — | — | WO | claimed |