Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.32 |
| ▸ | PTAFR | P25105 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5816680 | 0.79 | OPRK1 (0.73) | OPRK1PDE4DPTAFR | |
| SCHEMBL11793386 | 0.70 | OPRK1 (0.57) | OPRK1PDE4DPTAFR | |
| SCHEMBL11087122 | 0.70 | OPRK1 (0.51) | OPRK1PDE4DCYP11B2CYP11B1PTAFR | |
| SCHEMBL11087109 | 0.69 | GABRA5 (0.43) | OPRK1PDE4DCYP11B2CYP11B1 | |
| SCHEMBL11827795 | 0.67 | OPRK1 (0.60) | OPRK1PDE4DCYP11B2CYP11B1 | |
| SCHEMBL11827799 | 0.67 | OPRK1 (0.60) | OPRK1PDE4DCYP11B2CYP11B1 | |
| Estazolam SCHEMBL29357458 | 0.63 | OPRK1 (1.00) | OPRK1PDE4D | |
| SCHEMBL11085506 | 0.62 | GABRA1 (0.64) | OPRK1PDE4DPTAFR | |
| SCHEMBL11836702 | 0.61 | OPRK1 (0.78) | OPRK1PDE4D | |
| SCHEMBL11199713 | 0.61 | OPRK1 (0.49) | OPRK1PDE4D |
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-0072029-A2 | Triazolobenzazepines, process and intermediates for their preparation and medicines containing them | F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) | 1983-02-16 | — | — | EP | disclosed |