Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 13/20 | 0.54 |
| ▸ | CCKBR | P32239 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALB | P02768 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CNR1 | P21554 | 1/20 | 0.46 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.46 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL28297191 | 1.00 | CHRM1 (0.54) | CHRM1CCKBRMEN1LMNAALB | |
| SCHEMBL11684302 | 0.80 | CHRM1 (0.62) | CHRM1CCKBRMEN1LMNAALB | |
| SCHEMBL28297259 | 0.80 | CHRM1 (0.68) | CHRM1CCKBRMEN1LMNAALB | |
| SCHEMBL28297190 | 0.79 | CHRM1 (0.64) | CHRM1CCKBRMEN1LMNAALB | |
| SCHEMBL21272215 | 0.79 | CHRM1 (0.78) | CHRM1CCKBRMEN1LMNAALB | |
| SCHEMBL21272066 | 0.79 | CHRM1 (0.78) | CHRM1CCKBRMEN1LMNAALB | |
| SCHEMBL21272106 | 0.78 | CCKBR (0.70) | CHRM1CCKBRMEN1LMNAALB | |
| SCHEMBL11826012 | 0.78 | CCKBR (0.70) | CHRM1CCKBRMEN1LMNAALB | |
| SCHEMBL21272237 | 0.78 | CCKBR (0.70) | CHRM1CCKBRMEN1LMNAALB | |
| SCHEMBL7572862 | 0.77 | MEN1 (0.52) | CHRM1CCKBRMEN1LMNAALB |
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 |