Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 11/20 | 0.50 |
| ▸ | HAVCR2 | Q8TDQ0 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | GABRP | O00591 | 1/20 | 0.47 |
| ▸ | GABRD | O14764 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.47 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.47 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.47 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.47 |
| ▸ | GABRE | P78334 | 1/20 | 0.47 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.47 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.47 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.47 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL29646321 | 1.00 | ADORA3 (0.50) | ADORA3HAVCR2HSD17B10GABRPGABRD | |
| SCHEMBL16370935 | 0.79 | PDE7A (0.44) | HSD17B10ALDH1A1 | |
| SCHEMBL30273100 | 0.76 | ADORA3 (0.54) | ADORA3HAVCR2HSD17B10GABRPGABRD | |
| SCHEMBL8797846 | 0.76 | ADORA3 (0.54) | ADORA3HAVCR2HSD17B10GABRPGABRD | |
| SCHEMBL9036763 | 0.72 | ADORA3 (0.67) | ADORA3HAVCR2HSD17B10 | |
| SCHEMBL11632879 | 0.72 | ADORA3 (0.61) | ADORA3HAVCR2HSD17B10GABRPGABRD | |
| SCHEMBL30273095 | 0.71 | ADORA3 (0.45) | ADORA3HAVCR2HSD17B10GABRA5ALDH1A1 | |
| SCHEMBL11548167 | 0.70 | ADORA3 (0.58) | ADORA3HAVCR2HSD17B10GABRPGABRD | |
| SCHEMBL515951 | 0.70 | GPR3 (0.39) | ALDH1A1 | |
| SCHEMBL11280041 | 0.69 | ADORA3 (0.66) | ADORA3HAVCR2HSD17B10GABRPGABRD |
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-1809297-A1 | IMIDAZO[1,5A]TRIAZOLO[1,5D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS | F. Hoffmann-Roche AG (CH) | 2007-07-25 | — | — | EP | disclosed |
| EP-1807432-A1 | HALOGEN SUBSTITUTED BENZODIAZEPINE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2007-07-18 | — | — | EP | disclosed |
| WO-2006045429-A1 | HALOGEN SUBSTITUTED BENZODIAZEPINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2006-05-04 | — | — | WO | disclosed |
| WO-2006040038-A1 | IMIDAZO [1, 5-A]TRIAZOLO[1, 5-D]BENZODIAZEPINE DERIVATIVES FOR THE TREATMENT OF COGNITIVE DISORDERS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-04-20 | — | — | WO | disclosed |