Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL25865398 | 0.85 | CTSC (0.49) | CTSCKCNH2 | |
| SCHEMBL25865995 | 0.77 | CTSC (0.42) | CTSC | |
| SCHEMBL25865402 | 0.74 | CTSC (0.57) | CTSCKCNH2 | |
| SCHEMBL25865488 | 0.73 | CTSC (0.46) | CTSCKCNH2 | |
| SCHEMBL25865922 | 0.72 | CTSC (0.45) | CTSC | |
| SCHEMBL25870640 | 0.72 | CTSC (0.47) | CTSCKCNH2 | |
| SCHEMBL25865936 | 0.71 | CTSC (0.41) | CTSC | |
| SCHEMBL25865723 | 0.70 | CTSC (0.43) | CTSCKCNH2 | |
| SCHEMBL26528437 | 0.69 | CTSC (0.45) | CTSCKCNH2 | |
| SCHEMBL26936556 | 0.69 | CTSC (0.69) | CTSCKCNH2 |
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 |