Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 1/20 | 0.50 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.50 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.50 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.50 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.50 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.48 |
| ▸ | GABRG2 | P18507 | 3/20 | 0.48 |
| ▸ | GABRB3 | P28472 | 3/20 | 0.48 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.48 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.48 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.48 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.48 |
| ▸ | CCKBR | P32239 | 1/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL28673794 | 0.83 | GABRA1 (0.50) | NR1I2ADORA3HTR2CADRA1APTGS2 | |
| SCHEMBL2478548 | 0.80 | OPRK1 (0.69) | NR1I2ADORA3HTR2CADRA1APTGS2 | |
| SCHEMBL11717903 | 0.76 | GABRA1 (0.48) | NR1I2ADORA3HTR2CADRA1APTGS2 | |
| SCHEMBL11713523 | 0.75 | HDAC3 (0.60) | NR1I2ADORA3HTR2CADRA1APTGS2 | |
| SCHEMBL5368722 | 0.73 | SIGMAR1 (0.47) | NR1I2ADORA3HTR2CADRA1APTGS2 | |
| SCHEMBL9652973 | 0.73 | GABRA1 (0.51) | NR1I2ADORA3HTR2CADRA1APTGS2 | |
| SCHEMBL5365287 | 0.73 | HDAC3 (0.58) | NR1I2ADORA3HTR2CADRA1APTGS2 | |
| SCHEMBL27461327 | 0.70 | HDAC3 (0.49) | NR1I2ADORA3HTR2CADRA1APTGS2 | |
| SCHEMBL28295465 | 0.70 | GABRA1 (0.46) | GABRA1GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL28297195 | 0.70 | LMNA (0.38) | DNMT1RAD52UHRF1GAAMEN1 |
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 |