Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | OPRK1 | P41145 | 5/20 | 0.54 |
| ▸ | DRD3 | P35462 | 2/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | HTR3A | P46098 | 1/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.54 |
| ▸ | GHSR | Q92847 | 1/20 | 0.54 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.54 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.54 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.54 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.45 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.45 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.45 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.45 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7375440 | 0.99 | CYP3A4 (0.55) | CYP3A4OPRK1DRD3HTR1AHTR3A | |
| SCHEMBL7377709 | 0.90 | CYP3A4 (0.63) | CYP3A4OPRK1DRD3HTR1AHTR3A | |
| SCHEMBL7377708 | 0.86 | CYP3A4 (0.57) | CYP3A4OPRK1DRD3HTR1AHTR3A | |
| Hydrochloric Acid SCHEMBL7376250 | 0.85 | CYP3A4 (0.56) | CYP3A4OPRK1DRD3HTR1AHTR3A | |
| SCHEMBL7370869 | 0.85 | OPRK1 (0.62) | CYP3A4OPRK1DRD3HTR1AHTR3A | |
| SCHEMBL7368762 | 0.81 | CYP3A4 (0.54) | CYP3A4OPRK1DRD3HTR1AHTR3A | |
| SCHEMBL7376484 | 0.81 | CYP3A4 (0.53) | CYP3A4OPRK1DRD3HTR1AHTR3A | |
| Hydrochloric Acid SCHEMBL7377073 | 0.81 | CYP3A4 (0.53) | CYP3A4OPRK1DRD3HTR1AHTR3A | |
| Hydrochloric Acid SCHEMBL7375094 | 0.80 | CYP3A4 (0.52) | CYP3A4OPRK1DRD3HTR1AHTR3A | |
| SCHEMBL8805527 | 0.80 | OPRK1 (0.56) | CYP3A4OPRK1DRD3HTR1AHTR3A |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-1996020941-A1 | HYDROXYMETHYLIMIDAZODIAZEPINES AND THEIR ESTERS | F. HOFFMANN-LA ROCHE AG (CH) | 1996-07-11 | — | — | WO | disclosed |