Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 3/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | PTAFR | P25105 | 1/20 | 0.39 |
| ▸ | CCKBR | P32239 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 2/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | GHSR | Q92847 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11084790 | 0.88 | OPRK1 (0.53) | OPRK1PDE4DCHRM1SMARCA2 | |
| SCHEMBL19006747 | 0.79 | OPRK1 (0.73) | OPRK1PDE4DCHRM1CYP3A4PTAFR | |
| SCHEMBL11091497 | 0.78 | TDP1 (0.53) | OPRK1PDE4DCHRM1CYP3A4HSD11B1 | |
| SCHEMBL11078084 | 0.78 | GABRA1 (0.54) | OPRK1PDE4DCHRM1CYP3A4HSD11B1 | |
| SCHEMBL11824259 | 0.78 | CYP3A4 (0.53) | OPRK1PDE4DCHRM1CYP3A4HSD11B1 | |
| SCHEMBL11824262 | 0.78 | CYP3A4 (0.53) | OPRK1PDE4DCHRM1CYP3A4HSD11B1 | |
| SCHEMBL11829109 | 0.77 | OPRK1 (0.57) | OPRK1PDE4DCHRM1CYP3A4PTAFR | |
| SCHEMBL11829115 | 0.77 | OPRK1 (0.57) | OPRK1PDE4DCHRM1CYP3A4PTAFR | |
| SCHEMBL11081366 | 0.76 | CHRM1 (0.45) | OPRK1PDE4DCHRM1CYP3A4HSD11B1 | |
| SCHEMBL11077402 | 0.76 | CHRM1 (0.45) | OPRK1PDE4DCHRM1CYP3A4HSD11B1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4464300-A | PSYCHOTROPIC, ANXIOLYTIC AGENTS | HOFFMANN-LA ROCHE INC. (US) | 1984-08-07 | — | — | US | disclosed |
| 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 |