Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 6/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.35 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29270744 | 0.93 | TP53 (0.34) | CHRM2CHRM4 | |
| SCHEMBL29270773 | 0.93 | EGLN2 (0.34) | CHRM2CHRM5CHRM4 | |
| SCHEMBL29270828 | 0.86 | TP53 (0.34) | — | |
| SCHEMBL29270771 | 0.85 | XIAP (0.34) | XIAP | |
| SCHEMBL29270781 | 0.84 | TP53 (0.37) | — | |
| SCHEMBL29270810 | 0.81 | TP53 (0.35) | — | |
| SCHEMBL26962351 | 0.80 | XIAP (0.43) | CHRM2XIAP | |
| SCHEMBL29270772 | 0.79 | TP53 (0.35) | CHRM4 | |
| SCHEMBL29270690 | 0.79 | ALDH1A1 (0.41) | XIAP | |
| SCHEMBL29270728 | 0.79 | PARP14 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116964048-A | Bicyclic tetrahydroazepine derivatives for the treatment of cancer | 豪夫迈·罗氏有限公司 | 2023-10-27 | — | — | CN | disclosed |