Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 5/20 | 0.73 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | GABRA3 | P34903 | 10/20 | 0.49 |
| ▸ | GABRA2 | P47869 | 7/20 | 0.49 |
| ▸ | GABRA1 | P14867 | 7/20 | 0.49 |
| ▸ | GABRA5 | P31644 | 6/20 | 0.49 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 1/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.44 |
| ▸ | HTR2A | P28223 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | PTAFR | P25105 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GABRP | O00591 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7431448 | 0.86 | GABRA3 (0.66) | OPRK1PDE4DCYP1A2GABRA3GABRA2 | |
| SCHEMBL11655855 | 0.85 | OPRK1 (0.51) | OPRK1PDE4DCYP1A2GABRA3GABRA2 | |
| SCHEMBL11829688 | 0.85 | CYP1A2 (0.55) | OPRK1PDE4DCYP1A2GABRA3GABRA2 | |
| Estazolam SCHEMBL28766 | 0.84 | OPRK1 (1.00) | OPRK1PDE4DGABRA3GABRA2GABRA1 | |
| Estazolam SCHEMBL29357458 | 0.84 | OPRK1 (1.00) | OPRK1PDE4DGABRA3GABRA2GABRA1 | |
| SCHEMBL7435143 | 0.83 | OPRK1 (0.76) | OPRK1PDE4DGABRA3GABRA2GABRA1 | |
| SCHEMBL7431549 | 0.83 | OPRK1 (0.51) | OPRK1PDE4DCYP1A2GABRA3GABRA2 | |
| SCHEMBL19006747 | 0.81 | OPRK1 (0.73) | OPRK1PDE4DGABRA3GABRA2GABRA1 | |
| SCHEMBL11709005 | 0.81 | CYP1A2 (0.52) | OPRK1PDE4DCYP1A2GABRA3GABRA2 | |
| SCHEMBL7371838 | 0.80 | CYP1A2 (0.53) | OPRK1PDE4DCYP1A2GABRA3GABRA2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4001262-A | Process for the production of 1-[(dimethylamino)methyl]-6-phenyl-4H-triazolo[4,3-a][1,4]-benzodiazepine | THE UPJOHN COMPANY (US) | 1977-01-04 | — | — | US | disclosed |