Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 20/20 | 0.54 |
| ▸ | HCRTR2 | O43614 | 20/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7916786 | 0.81 | HCRTR2 (0.44) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL2338196 | 0.78 | HCRTR2 (0.69) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL3486925 | 0.75 | HCRTR2 (0.69) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL2306422 | 0.70 | HCRTR1 (1.00) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL2309837 | 0.69 | HCRTR1 (0.82) | HCRTR1HCRTR2CYP3A4 | |
| Hydrochloric Acid SCHEMBL2336145 | 0.68 | HCRTR1 (0.81) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL2277636 | 0.67 | HCRTR1 (1.00) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL2280327 | 0.66 | HCRTR1 (0.81) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL8082692 | 0.65 | HCRTR1 (0.82) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL2277887 | 0.65 | HCRTR1 (0.69) | 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-2010051237-A1 | 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-05-06 | — | — | WO | disclosed |