Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 16/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | GPR55 | Q9Y2T6 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.34 |
| ▸ | IDH1 | O75874 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29455607 | 0.88 | CTSC (0.49) | CTSCCTSKKCNH2 | |
| SCHEMBL24981561 | 0.85 | CTSC (0.40) | CTSCCTSKGPR55KCNJ1 | |
| SCHEMBL29455578 | 0.85 | CTSC (0.40) | CTSCCTSKGPR55KCNJ1 | |
| SCHEMBL29455313 | 0.84 | CTSC (0.46) | CTSCCTSKKCNH2 | |
| SCHEMBL24981554 | 0.84 | CTSC (0.46) | CTSCCTSKKCNH2 | |
| SCHEMBL28989792 | 0.84 | CTSC (0.46) | CTSCCTSKKCNH2 | |
| SCHEMBL28989791 | 0.79 | CTSC (0.41) | CTSCCTSKGPR55KCNH2KCNJ1 | |
| Trifluoroacetic Acid SCHEMBL30738898 | 0.79 | CTSC (0.55) | CTSCCTSKKCNH2 | |
| SCHEMBL29455579 | 0.79 | CTSC (0.42) | CTSCCTSKKCNH2 | |
| SCHEMBL30739006 | 0.78 | CTSC (0.35) | CTSCGPR55KCNJ1 |
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 |