Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA3 | P34903 | 9/20 | 0.43 |
| ▸ | GABRA1 | P14867 | 4/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | PTAFR | P25105 | 3/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7950334 | 0.90 | GABRA3 (0.43) | GABRA3GABRA1GABRA2GABRA5GABRB2 | |
| SCHEMBL7371838 | 0.88 | CYP1A2 (0.53) | GABRA3GABRA1GABRA2GABRA5GABRB2 | |
| SCHEMBL7951215 | 0.82 | PTAFR (0.57) | GABRA3GABRA1GABRA2GABRA5GABRB2 | |
| SCHEMBL7369289 | 0.79 | CYP1A2 (0.55) | GABRA3GABRA1GABRA2GABRA5GABRB2 | |
| SCHEMBL7380104 | 0.77 | GABRA3 (0.58) | GABRA3GABRA1GABRA2GABRA5GABRB2 | |
| SCHEMBL11709005 | 0.74 | CYP1A2 (0.52) | GABRA3GABRA1GABRA2GABRA5GABRB2 | |
| SCHEMBL7844186 | 0.72 | PTAFR (0.57) | GABRA3GABRA1GABRA2GABRA5GABRB2 | |
| SCHEMBL11733663 | 0.70 | GABRA3 (0.47) | GABRA3GABRA1GABRA2GABRA5GABRB2 | |
| SCHEMBL11829688 | 0.69 | CYP1A2 (0.55) | GABRA3GABRA1GABRA2GABRA5GABRB2 | |
| SCHEMBL7436839 | 0.68 | OPRK1 (0.73) | GABRA3GABRA1GABRA2GABRA5GABRB2 |
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 |