Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 20/20 | 0.50 |
| ▸ | HCRTR2 | O43614 | 20/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 18/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL17580277 | 1.00 | HCRTR1 (0.50) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL17580076 | 0.86 | HCRTR1 (0.50) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL17580077 | 0.86 | HCRTR1 (0.50) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL17580150 | 0.86 | HCRTR1 (0.51) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL17580152 | 0.86 | HCRTR1 (0.51) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL14940433 | 0.84 | HCRTR1 (0.51) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL14940431 | 0.84 | HCRTR1 (0.51) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL17580156 | 0.79 | HCRTR1 (0.46) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL17580154 | 0.79 | HCRTR1 (0.46) | HCRTR1HCRTR2CYP3A4 | |
| SCHEMBL17579911 | 0.79 | HCRTR1 (0.51) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2776430-B1 | 2- (1,2,3-TRIAZOL-2-YL) BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL) PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-03-16 | — | — | EP | disclosed |