Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTAFR | P25105 | 7/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | DRD3 | P35462 | 2/20 | 0.41 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.40 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.40 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.40 |
| ▸ | GHSR | Q92847 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR3A | P46098 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.37 |
| ▸ | CCKBR | P32239 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7844186 | 0.89 | PTAFR (0.57) | PTAFRCHRM1OPRK1CYP3A4DRD3 | |
| SCHEMBL8933497 | 0.83 | PTAFR (0.41) | PTAFROPRK1CYP3A4DRD3SLC22A1 | |
| SCHEMBL7370408 | 0.83 | GABRA1 (0.59) | PTAFROPRK1CYP3A4DRD3SLC22A1 | |
| SCHEMBL7951252 | 0.82 | GABRA3 (0.43) | PTAFROPRK1PDE4DGABRA1GABRA5 | |
| SCHEMBL7370687 | 0.79 | CYP3A4 (0.58) | CHRM1OPRK1CYP3A4DRD3SLC22A1 | |
| SCHEMBL32673218 | 0.79 | CYP3A4 (0.58) | CHRM1OPRK1CYP3A4DRD3SLC22A1 | |
| Bromide SCHEMBL30752770 | 0.76 | OPRK1 (0.52) | PTAFRCHRM1OPRK1CYP3A4DRD3 | |
| SCHEMBL30752796 | 0.76 | CYP3A4 (0.50) | CHRM1OPRK1CYP3A4DRD3SLC22A1 | |
| Hydrochloric Acid SCHEMBL30752758 | 0.76 | OPRK1 (0.52) | PTAFRCHRM1OPRK1CYP3A4DRD3 | |
| SCHEMBL30950423 | 0.74 | GABRA1 (0.33) | PTAFROPRK1CYP3A4DRD3SLC22A1 |
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-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 |