Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRK1 | P41145 | 2/20 | 0.35 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.33 |
| ▸ | NOS3 | P29474 | 1/20 | 0.31 |
| ▸ | NOS2 | P35228 | 1/20 | 0.31 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.30 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.30 |
| ▸ | GABRB2 | P47870 | 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 | |
|---|---|---|---|---|
| SCHEMBL7319992 | 0.82 | OPRK1 (0.43) | OPRK1NISCHKMT2AGABRA1GABRG2 | |
| Maleic Acid SCHEMBL7408000 | 0.75 | OPRK1 (0.44) | OPRK1KDM4EMEN1ALDH1A1KMT2A | |
| SCHEMBL7308578 | 0.74 | OPRK1 (0.37) | OPRK1KMT2A | |
| SCHEMBL7318231 | 0.70 | GABRA1 (0.60) | OPRK1ALDH1A1KMT2AGABRA1GABRG2 | |
| SCHEMBL20370098 | 0.68 | GABRA1 (0.37) | KDM4EMEN1ALDH1A1KMT2AGABRA1 | |
| SCHEMBL13898488 | 0.65 | NOS2 (0.37) | NOS3NOS2PDPK1KDM4EMEN1 | |
| SCHEMBL2980218 | 0.63 | NOS3 (0.54) | NOS3NOS2PDPK1 | |
| SCHEMBL7379267 | 0.62 | BCAT2 (0.37) | OPRK1NOS3NOS2PDPK1ALDH1A1 | |
| SCHEMBL7313871 | 0.60 | OPRK1 (0.56) | OPRK1NISCHGABRA1GABRG2GABRB3 | |
| SCHEMBL13716645 | 0.59 | NISCH (0.37) | NISCHKDM4EMEN1ALDH1A1CYP1A2 |
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 |