Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.55 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.46 |
| ▸ | CTSK | P43235 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL25146472 | 1.00 | CTSC (0.55) | CTSCKCNH2CTSK | |
| SCHEMBL28989313 | 1.00 | CTSC (0.55) | CTSCKCNH2CTSK | |
| SCHEMBL28989283 | 0.92 | CTSC (0.58) | CTSCKCNH2CTSK | |
| SCHEMBL25369429 | 0.92 | CTSC (0.58) | CTSCKCNH2CTSK | |
| SCHEMBL24981976 | 0.92 | CTSC (0.58) | CTSCKCNH2CTSK | |
| SCHEMBL25267517 | 0.90 | CTSC (0.68) | CTSCKCNH2 | |
| SCHEMBL16932289 | 0.90 | CTSC (0.68) | CTSCKCNH2 | |
| SCHEMBL24981555 | 0.88 | CTSC (0.54) | CTSCKCNH2 | |
| SCHEMBL25146371 | 0.88 | CTSC (0.54) | CTSCKCNH2 | |
| SCHEMBL28989432 | 0.88 | CTSC (0.54) | 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 |
|---|---|---|---|---|---|---|---|
| CN-115996923-A | Nitrile derivative as dipeptidyl peptidase 1 inhibitor and application thereof | 四川海思科制药有限公司 | 2023-04-21 | — | — | CN | disclosed |