Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.46 |
| ▸ | GABRP | O00591 | 1/20 | 0.46 |
| ▸ | GABRD | O14764 | 1/20 | 0.46 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.46 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.46 |
| ▸ | GABRE | P78334 | 1/20 | 0.46 |
| ▸ | GABRA6 | Q16445 | 1/20 | 0.46 |
| ▸ | GABRG1 | Q8N1C3 | 1/20 | 0.46 |
| ▸ | GABRG3 | Q99928 | 1/20 | 0.46 |
| ▸ | GABRQ | Q9UN88 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | BRD2 | P25440 | 1/20 | 0.44 |
| ▸ | BRD3 | Q15059 | 1/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28297198 | 0.84 | GABRA1 (0.42) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28295469 | 0.81 | GABRA1 (0.43) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28295463 | 0.81 | GABRA1 (0.43) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28297187 | 0.81 | GABRA1 (0.42) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28295459 | 0.79 | GABRA1 (0.41) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28673794 | 0.72 | GABRA1 (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28295474 | 0.70 | CHRM1 (0.56) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28295461 | 0.70 | NR1I2 (0.50) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL27740628 | 0.70 | GABRA1 (0.56) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL27954292 | 0.70 | GABRA1 (0.56) | GABRA1GABRG2GABRB3GABRA5GABRA3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109906220-A | For treating the 1,3- dihydro -1,4- benzodiazepine * -2- thione compounds of CNS related disease | 豪夫迈·罗氏有限公司 | 2019-06-18 | — | — | CN | claimed |
| CN-109906220-A | For treating the 1,3- dihydro -1,4- benzodiazepine * -2- thione compounds of CNS related disease | 豪夫迈·罗氏有限公司 | 2019-06-18 | — | — | CN | disclosed |