Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.57 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.57 |
| ▸ | DRD3 | P35462 | 2/20 | 0.57 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.57 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | HTR3A | P46098 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | GHSR | Q92847 | 1/20 | 0.50 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.47 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL32673434 | 1.00 | OPRK1 (0.57) | OPRK1CYP3A4PDE4DDRD3SLC22A1 | |
| SCHEMBL11813327 | 0.88 | OPRK1 (0.46) | OPRK1CYP3A4PDE4DDRD3SLC22A1 | |
| SCHEMBL8880596 | 0.88 | GABRA1 (0.60) | OPRK1PDE4DLMNAGABRA1GABRG2 | |
| SCHEMBL11826943 | 0.88 | PTAFR (0.47) | OPRK1CYP3A4PDE4DDRD3SLC22A1 | |
| SCHEMBL11830831 | 0.86 | GABRA1 (0.49) | OPRK1CYP3A4PDE4DDRD3SLC22A1 | |
| SCHEMBL11734238 | 0.84 | OPRK1 (0.67) | OPRK1PDE4DKCNH2LMNAGABRA1 | |
| SCHEMBL25122373 | 0.84 | OPRK1 (0.55) | OPRK1CYP3A4PDE4DDRD3SLC22A1 | |
| SCHEMBL8933482 | 0.83 | GABRA1 (0.50) | OPRK1CYP3A4PDE4DDRD3SLC22A1 | |
| SCHEMBL11835141 | 0.83 | PTAFR (0.45) | OPRK1CYP3A4PDE4DDRD3SLC22A1 | |
| SCHEMBL8933572 | 0.83 | CYP3A4 (0.47) | OPRK1CYP3A4PDE4DDRD3SLC22A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4001261-A | Process for the production of 1-[(dimethylamino)methyl]-6-phenyl-4H-imidazo[1,2-a][1,4]-benzodiazepine | THE UPJOHN COMPANY (US) | 1977-01-04 | — | — | US | disclosed |
| US-3941803-A | 2-(Imidazol-1-yl)benzophenones | THE UPJOHN COMPANY (US) | 1976-03-02 | — | — | US | disclosed |
| US-3933794-A | CENTRAL NERVOUS SYSTEM DEPRESSANTS | THE UPJOHN COMPANY (US) | 1976-01-20 | — | — | US | disclosed |