Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 20/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4478245 | 0.76 | HRH3 (0.48) | HRH3KCNH2CYP2D6 | |
| SCHEMBL4474695 | 0.74 | HRH3 (0.48) | HRH3 | |
| SCHEMBL3776595 | 0.73 | HRH3 (0.62) | HRH3KCNH2CYP2D6 | |
| SCHEMBL4485943 | 0.72 | HRH3 (0.45) | HRH3KCNH2CYP2D6 | |
| SCHEMBL3766350 | 0.71 | HRH3 (0.46) | HRH3KCNH2CYP2D6 | |
| SCHEMBL3094888 | 0.67 | HRH3 (0.64) | HRH3CYP2D6 | |
| SCHEMBL3085867 | 0.65 | HRH3 (1.00) | HRH3CYP2D6 | |
| SCHEMBL3091232 | 0.64 | HRH3 (0.68) | HRH3CYP2D6 | |
| SCHEMBL11918570 | 0.62 | HRH3 (1.00) | HRH3KCNH2CYP2D6 | |
| SCHEMBL3077588 | 0.62 | HRH3 (0.95) | HRH3CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009039431-A2 | SUBSTITUTED ARYL-FUSED SPIROCYCLIC AMINES | NEUROGEN CORPORATION (US) | 2009-03-26 | — | — | WO | claimed |