Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | HCRTR1 | O43613 | 18/20 | 0.52 |
| ▸ | HCRTR2 | O43614 | 11/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL3390051 | 1.00 | CYP3A4 (0.54) | CYP3A4HCRTR1HCRTR2 | |
| SCHEMBL3390487 | 0.92 | CYP3A4 (0.56) | CYP3A4HCRTR1HCRTR2 | |
| SCHEMBL7911927 | 0.92 | CYP3A4 (0.56) | CYP3A4HCRTR1HCRTR2 | |
| SCHEMBL7910628 | 0.88 | CYP3A4 (0.55) | CYP3A4HCRTR1HCRTR2 | |
| SCHEMBL3386312 | 0.88 | CYP3A4 (0.55) | CYP3A4HCRTR1HCRTR2 | |
| SCHEMBL3390096 | 0.88 | CYP3A4 (0.55) | CYP3A4HCRTR1HCRTR2 | |
| SCHEMBL3386018 | 0.87 | CYP3A4 (0.55) | CYP3A4HCRTR1HCRTR2 | |
| SCHEMBL7911550 | 0.87 | CYP3A4 (0.55) | CYP3A4HCRTR1HCRTR2 | |
| SCHEMBL2471240 | 0.87 | HCRTR1 (0.62) | CYP3A4HCRTR1HCRTR2 | |
| SCHEMBL7917283 | 0.87 | HCRTR1 (0.62) | CYP3A4HCRTR1HCRTR2 |
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-2010063663-A1 | N-{[(IR,4S,6R-3-(2-PYRIDINYLCARBONYL)-3-AZABICYCLO [4.1.0]HEPT-4-YL] METHYL}-2-HETEROARYLAMINE DERIVATIVES AND USES THEREOF | GLAXO GROUP LIMITED (GB) | 2010-06-10 | — | — | WO | disclosed |