Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.43 |
| ▸ | CTSK | P43235 | 8/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25865815 | 0.89 | CTSC (0.40) | CTSCCTSK | |
| SCHEMBL25865724 | 0.85 | CTSC (0.63) | CTSCKCNH2 | |
| SCHEMBL25865722 | 0.85 | CTSC (0.63) | CTSCKCNH2 | |
| SCHEMBL25865922 | 0.84 | CTSC (0.45) | CTSCCTSK | |
| SCHEMBL25865923 | 0.81 | CTSC (0.57) | CTSCCTSK | |
| SCHEMBL25865949 | 0.81 | CTSC (0.42) | CTSCCTSK | |
| SCHEMBL25865927 | 0.80 | CTSC (0.58) | CTSCCTSK | |
| SCHEMBL25865936 | 0.79 | CTSC (0.41) | CTSCCTSK | |
| SCHEMBL25865706 | 0.78 | CTSC (0.40) | CTSCCTSK | |
| SCHEMBL25865841 | 0.77 | CTSC (0.55) | CTSCCTSKKCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023134656-A1 | PEPTIDYL NITRILE COMPOUND AND USE THEREOF | 上海壹典医药科技开发有限公司 | 2023-07-20 | — | — | WO | disclosed |