Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM1 | P11229 | 5/20 | 0.56 |
| ▸ | CCKBR | P32239 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.43 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.43 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.43 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.43 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.43 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.43 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.43 |
| ▸ | CCKAR | P32238 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | BACE1 | P56817 | 1/20 | 0.38 |
| ▸ | NOS2 | P35228 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28297188 | 0.83 | CHRM1 (0.49) | CHRM1CCKBRMEN1ALDH1A1KMT2A | |
| SCHEMBL11684302 | 0.82 | CHRM1 (0.62) | CHRM1CCKBRMEN1ALDH1A1KMT2A | |
| SCHEMBL29695279 | 0.82 | CCKBR (0.48) | CHRM1CCKBRMEN1ALDH1A1KMT2A | |
| SCHEMBL6065137 | 0.82 | CCKBR (0.48) | CHRM1CCKBRMEN1ALDH1A1KMT2A | |
| SCHEMBL27675515 | 0.82 | CCKBR (0.48) | CHRM1CCKBRMEN1ALDH1A1KMT2A | |
| SCHEMBL28297197 | 0.78 | LMNA (0.57) | CHRM1MEN1KMT2AGABRA1GABRA5 | |
| SCHEMBL20226281 | 0.77 | CHRM1 (0.61) | CHRM1CCKBRMEN1ALDH1A1KMT2A | |
| SCHEMBL20098126 | 0.75 | CCKBR (0.46) | CHRM1CCKBRMEN1ALDH1A1KMT2A | |
| SCHEMBL20226277 | 0.75 | CHRM1 (0.58) | CHRM1CCKBRMEN1ALDH1A1KMT2A | |
| SCHEMBL11278574 | 0.73 | GABRA1 (0.47) | CHRM1CCKBRMEN1ALDH1A1KMT2A |
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 |