Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 13/20 | 0.48 |
| ▸ | HCRTR2 | O43614 | 9/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL609341 | 1.00 | HCRTR1 (0.48) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL608175 | 0.87 | HCRTR1 (0.54) | HCRTR1HCRTR2 | |
| SCHEMBL7913236 | 0.87 | CYP3A4 (0.54) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL3390051 | 0.87 | CYP3A4 (0.54) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL610803 | 0.85 | HCRTR1 (0.50) | HCRTR1HCRTR2 | |
| SCHEMBL610097 | 0.85 | CYP3A4 (0.54) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL7869499 | 0.85 | CYP3A4 (0.54) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL608587 | 0.85 | HCRTR1 (0.65) | HCRTR1HCRTR2 | |
| SCHEMBL10121671 | 0.83 | HCRTR2 (0.64) | HCRTR1HCRTR2 | |
| SCHEMBL611060 | 0.83 | HCRTR2 (0.64) | HCRTR1HCRTR2 |
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-2010122151-A1 | 3 -AZABICYCLO [4.1.0] HEPTANES USED AS OREXIN ANTAGONISTS | GLAXO GROUP LIMITED (GB) | 2010-10-28 | — | — | WO | disclosed |