Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31411025 | 0.95 | CTSC (0.59) | CTSCKCNH2 | |
| SCHEMBL31734723 | 0.95 | CTSC (0.59) | CTSCKCNH2 | |
| SCHEMBL24502873 | 0.95 | CTSC (0.59) | CTSCKCNH2 | |
| SCHEMBL24502907 | 0.95 | CTSC (0.59) | CTSCKCNH2 | |
| SCHEMBL26925286 | 0.95 | CTSC (0.59) | CTSCKCNH2 | |
| SCHEMBL31758563 | 0.94 | CTSC (0.56) | CTSCKCNH2 | |
| SCHEMBL31758648 | 0.94 | CTSC (0.56) | CTSCKCNH2 | |
| SCHEMBL31758553 | 0.94 | CTSC (0.56) | CTSCKCNH2 | |
| SCHEMBL31758593 | 0.89 | CTSC (0.45) | CTSCKCNH2CTSK | |
| SCHEMBL31758872 | 0.89 | CTSC (0.45) | CTSCKCNH2CTSK |
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-2022117059-A1 | SMALL MOLECULE INHIBITOR OF CATHEPSIN C AND MEDICINAL USE THEREOF | 瑞石生物医药有限公司 | 2022-06-09 | — | — | WO | disclosed |