Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 10/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | CNR1 | P21554 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7371838 | 0.91 | CYP1A2 (0.53) | CYP1A2OPRK1PDE4DGABRA3GABRA1 | |
| SCHEMBL7380104 | 0.88 | GABRA3 (0.58) | CYP1A2OPRK1PDE4DGABRA3GABRA1 | |
| SCHEMBL7950334 | 0.88 | GABRA3 (0.43) | CYP1A2OPRK1PDE4DGABRA3GABRA1 | |
| SCHEMBL11709005 | 0.85 | CYP1A2 (0.52) | CYP1A2OPRK1PDE4DGABRA3GABRA1 | |
| SCHEMBL7374809 | 0.85 | OPRK1 (0.61) | OPRK1PDE4DGABRA3GABRA1GABRA5 | |
| SCHEMBL7370298 | 0.84 | OPRK1 (0.55) | OPRK1PDE4DGABRA3GABRA1GABRA5 | |
| SCHEMBL32673218 | 0.82 | CYP3A4 (0.58) | OPRK1PDE4DGABRA3GABRA1GABRA5 | |
| SCHEMBL7370687 | 0.82 | CYP3A4 (0.58) | OPRK1PDE4DGABRA3GABRA1GABRA5 | |
| SCHEMBL11829688 | 0.80 | CYP1A2 (0.55) | CYP1A2OPRK1PDE4DGABRA3GABRA1 | |
| SCHEMBL7436839 | 0.79 | OPRK1 (0.73) | CYP1A2OPRK1PDE4DGABRA3GABRA1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0801651-B1 | HYDROXYMETHYLIMIDAZODIAZEPINES AND THEIR ESTERS | HOFFMANN LA ROCHE (CH) | 2001-07-11 | — | — | EP | disclosed |
| US-6174881-B1 | USED AS ANXIOLYTIC AND/OR ANTICONVULSANT AND/OR MUSCLE RELAXANT AGENTS; SEDATIVES OR HYPNOSIS; WATER-SOLUBLE AMINE SALTS; FAST-ACTING | HOFFMAN-LA ROCHE INC. | 2001-01-16 | — | — | US | disclosed |
| EP-0801651-A1 | HYDROXYMETHYLIMIDAZODIAZEPINES AND THEIR ESTERS | F. HOFFMANN-LA ROCHE AG (CH) | 1997-10-22 | — | — | EP | disclosed |
| WO-1996020941-A1 | HYDROXYMETHYLIMIDAZODIAZEPINES AND THEIR ESTERS | F. HOFFMANN-LA ROCHE AG (CH) | 1996-07-11 | — | — | WO | disclosed |