Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 15/20 | 0.45 |
| ▸ | HCRTR2 | O43614 | 13/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL609528 | 1.00 | HCRTR1 (0.45) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL611427 | 0.86 | HCRTR2 (0.43) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL609008 | 0.84 | HCRTR1 (0.42) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL7861581 | 0.84 | HCRTR1 (0.42) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL607935 | 0.84 | HCRTR1 (0.49) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL610097 | 0.83 | CYP3A4 (0.54) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL609531 | 0.83 | HCRTR2 (0.52) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL7869499 | 0.83 | CYP3A4 (0.54) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL7868917 | 0.83 | HCRTR2 (0.52) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL611279 | 0.81 | CYP3A4 (0.52) | HCRTR1HCRTR2CYP3A4 |
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 |