Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.49 |
| ▸ | CTSK | P43235 | 1/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28989792 | 0.88 | CTSC (0.46) | CTSCCTSKKCNH2 | |
| SCHEMBL24981554 | 0.88 | CTSC (0.46) | CTSCCTSKKCNH2 | |
| SCHEMBL29455313 | 0.88 | CTSC (0.46) | CTSCCTSKKCNH2 | |
| SCHEMBL25865932 | 0.88 | CTSC (0.44) | CTSCCTSKKCNH2 | |
| Trifluoroacetic Acid SCHEMBL30738898 | 0.84 | CTSC (0.55) | CTSCCTSKKCNH2 | |
| SCHEMBL29455579 | 0.84 | CTSC (0.42) | CTSCCTSKKCNH2 | |
| SCHEMBL16934691 | 0.84 | CTSC (0.66) | CTSCKCNH2 | |
| SCHEMBL21924553 | 0.84 | CTSC (0.66) | CTSCKCNH2 | |
| SCHEMBL29455578 | 0.82 | CTSC (0.40) | CTSCCTSK | |
| SCHEMBL24981561 | 0.82 | CTSC (0.40) | CTSCCTSK |
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-2022042591-A1 | NITRILE DERIVATIVE THAT ACTS AS INHIBITOR OF DIPEPTIDYL PEPTIDASE 1 AND USE THEREOF | 四川海思科制药有限公司 | 2022-03-03 | — | — | WO | disclosed |