Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRG2 | P18507 | 7/20 | 0.62 |
| ▸ | GABRB3 | P28472 | 7/20 | 0.62 |
| ▸ | GABRA3 | P34903 | 6/20 | 0.62 |
| ▸ | GABRA2 | P47869 | 6/20 | 0.56 |
| ▸ | DRD3 | P35462 | 2/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.51 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | HTR3A | P46098 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | GHSR | Q92847 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.47 |
| ▸ | GABRA6 | Q16445 | 3/20 | 0.47 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7317652 | 0.90 | GABRA3 (0.60) | GABRG2GABRB3GABRA3GABRA2GABRA5 | |
| SCHEMBL30730005 | 0.90 | GABRG2 (0.77) | GABRG2GABRB3GABRA3GABRA2DRD3 | |
| SCHEMBL14282643 | 0.90 | GABRG2 (0.66) | GABRG2GABRB3GABRA3GABRA2GABRA5 | |
| SCHEMBL30730006 | 0.88 | GABRG2 (0.56) | GABRG2GABRB3GABRA3DRD3OPRK1 | |
| SCHEMBL7312439 | 0.88 | GABRG2 (0.56) | GABRG2GABRB3GABRA3DRD3OPRK1 | |
| SCHEMBL7313317 | 0.87 | GABRG2 (0.56) | GABRG2GABRB3GABRA3GABRA2DRD3 | |
| SCHEMBL7317878 | 0.87 | GABRA2 (0.61) | GABRG2GABRB3GABRA3GABRA2OPRK1 | |
| SCHEMBL13009533 | 0.86 | GABRA3 (0.82) | GABRG2GABRB3GABRA3GABRA2GABRA5 | |
| SCHEMBL30730011 | 0.83 | CYP3A4 (0.51) | GABRG2GABRB3GABRA3DRD3OPRK1 | |
| SCHEMBL7313844 | 0.82 | OPRK1 (0.60) | GABRG2GABRB3GABRA3GABRA2DRD3 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4440685-A | MUSCLE RELAXANTS, SEDATIVES, ANTICONVULSANTS | HOFFMANN-LA ROCHE INC. (US) | 1984-04-03 | — | — | US | disclosed |
| US-4425272-A | ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES | HOFFMANN-LA ROCHE INC. (US) | 1984-01-10 | — | — | US | disclosed |
| US-4401597-A | INTERMEDIATES FOR ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVE AND ANXIOLYTICS | HOFFMANN-LA ROCHE INC. (US) | 1983-08-30 | — | — | US | disclosed |
| US-4390471-A | INTERMEDIATES FOR IMIDOBENZODIAZEPINE AND ANALOGS | HOFFMANN-LA ROCHE INC. (US) | 1983-06-28 | — | — | US | disclosed |
| US-4377523-A | Imidazodiazepines and processes therefor | HOFFMANN-LA ROCHE INC. (US) | 1983-03-22 | — | — | US | disclosed |
| US-4376075-A | REACTION OF AN AMINODERIVATIVE THEREOF WITH AN ALDEHYDE | HOFFMANN-LA ROCHE INC. (US) | 1983-03-08 | — | — | US | disclosed |
| US-4376074-A | ANTICONVULSANTS, MUSCLE RELAXANTS AND SEDATIVES | HOFFMANN-LA ROCHE INC. (US) | 1983-03-08 | — | — | US | disclosed |
| US-4371468-A | ANTICONVULSANTS, MUSCLE RELAXANTS, AND SEDATIVES | HOFFMANN-LA ROCHE INC. (US) | 1983-02-01 | — | — | US | disclosed |
| US-4368157-A | ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES | HOFFMANN-LA ROCHE INC. (US) | 1983-01-11 | — | — | US | disclosed |
| US-4368159-A | ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES | HOFFMANN-LA ROCHE INC. (US) | 1983-01-11 | — | — | US | disclosed |
| US-4368158-A | ANTICONVULSANTS, MUSCLE RELAXANTS, TRANQUILIZERS, SEDATIVES | HOFFMANN-LA ROCHE INC. (US) | 1983-01-11 | — | — | US | disclosed |
| US-4349476-A | IMIDAZO/1,5-A//1,4) BENZO-, THIENO-, OR PYRAZOLODIAZEPINES FROM DERIVATIVES OF BENZO-, THIENO- OR PYRAZOLODIAZEPINE | HOFFMANN-LA ROCHE INC. (US) | 1982-09-14 | — | — | US | disclosed |
| US-4349477-A | IMIPAZO/1,5-A//1,4/BENZO-, THIENO- OR PYRAZOLODIAZEPINES FROM 2-DIMORPHOLINOPHOSPHONATES OF BENZO-, THIENO- OR PYRAZOLODIAZEPINES | HOFFMANN-LA ROCHE INC. (US) | 1982-09-14 | — | — | US | disclosed |
| US-4349475-A | IMIDAZO/1,5-A//1,4/BENZO-, THIENO-, OR PYRAZOLODIAZEPINES FROM DERIVATIVES OF BENZOTHIENO-OR PYRAZOLODIAZEPINES | HOFFMANN-LA ROCHE INC. (US) | 1982-09-14 | — | — | US | disclosed |
| US-4347365-A | ANTICONVULSANTS, MUSCLE RELAXANTS, SEDATIVES | HOFFMANN-LA ROCHE INC. (US) | 1982-08-31 | — | — | US | disclosed |
| US-4347364-A | INTERMEDIATES THEREFOR | HOFFMANN-LA ROCHE INC. (US) | 1982-08-31 | — | — | US | disclosed |
| US-4307237-A | ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS | HOFFMANN-LA ROCHE INC. (US) | 1981-12-22 | — | — | US | disclosed |
| US-4280957-A | Imidazodiazepines and processes therefor | HOFFMANN-LA ROCHE INC. (US) | 1981-07-28 | — | — | US | disclosed |