Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.51 |
| ▸ | CTSK | P43235 | 4/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL15081691 | 1.00 | CTSC (0.51) | CTSCCTSKKCNH2 | |
| SCHEMBL15081644 | 0.94 | CTSC (0.58) | CTSCCTSKKCNH2 | |
| SCHEMBL14822119 | 0.94 | CTSC (0.58) | CTSCCTSKKCNH2 | |
| SCHEMBL15081638 | 0.91 | CTSC (0.58) | CTSCCTSKKCNH2 | |
| SCHEMBL15081649 | 0.90 | CTSC (0.57) | CTSCCTSK | |
| SCHEMBL15081653 | 0.89 | CTSC (0.58) | CTSCCTSKKCNH2 | |
| SCHEMBL16071153 | 0.89 | CTSC (0.59) | CTSCCTSKKCNH2 | |
| SCHEMBL15081629 | 0.88 | CTSC (0.59) | CTSCCTSK | |
| SCHEMBL15081636 | 0.87 | CTSC (0.54) | CTSCCTSK | |
| SCHEMBL14821953 | 0.87 | CTSC (0.58) | 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 |
|---|---|---|---|---|---|---|---|
| EP-2758398-B1 | SUBSTITUTED N- [1-CYANO-2- (PHENYL) ETHYL]-2-AZABICYCLO [2.2.1]HEPTANE-3-CARBOXAMIDE INHIBITORS OF CATHEPSIN C | BOEHRINGER INGELHEIM INT (DE) | 2017-08-02 | — | — | EP | disclosed |