Predicted protein targets (top 2)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL25865839 | 0.91 | CTSC (0.58) | CTSCKCNH2 | |
| SCHEMBL25865693 | 0.86 | CTSC (0.68) | CTSCKCNH2 | |
| SCHEMBL25865696 | 0.85 | CTSC (0.60) | CTSC | |
| SCHEMBL25146659 | 0.81 | CTSC (0.62) | CTSCKCNH2 | |
| SCHEMBL28989325 | 0.81 | CTSC (0.62) | CTSCKCNH2 | |
| SCHEMBL24981825 | 0.81 | CTSC (0.62) | CTSCKCNH2 | |
| SCHEMBL28989328 | 0.81 | CTSC (0.62) | CTSCKCNH2 | |
| SCHEMBL25865690 | 0.81 | CTSC (0.55) | CTSCKCNH2 | |
| SCHEMBL25865827 | 0.80 | CTSC (0.60) | CTSCKCNH2 | |
| SCHEMBL29038835 | 0.79 | CTSC (0.78) | 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 |