Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.51 |
| ▸ | CTSK | P43235 | 4/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL16478369 | 0.90 | CTSC (0.55) | CTSCKCNH2CTSK | |
| SCHEMBL16478366 | 0.89 | CTSC (0.55) | CTSCKCNH2CTSK | |
| SCHEMBL16478348 | 0.87 | CTSC (0.55) | CTSCKCNH2CTSK | |
| SCHEMBL16478200 | 0.82 | CTSC (0.66) | CTSCKCNH2CTSK | |
| SCHEMBL16478201 | 0.82 | CTSC (0.66) | CTSCKCNH2CTSK | |
| Trifluoroacetic Acid SCHEMBL16478346 | 0.81 | CTSC (0.47) | CTSCKCNH2CTSK | |
| SCHEMBL16478367 | 0.77 | CTSC (0.71) | CTSCKCNH2CTSK | |
| SCHEMBL16478351 | 0.76 | CTSC (0.72) | CTSCKCNH2CTSK | |
| SCHEMBL32680926 | 0.74 | CTSC (0.73) | CTSCKCNH2 | |
| SCHEMBL30738859 | 0.74 | CTSC (0.73) | 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-2011154677-A1 | SUBSTITUTED N-[1-CYANO-2-(PHENYL)ETHYL] 1-AMINOCYCLOALK-1-YLCARBOXAMIDE COMPOUNDS - 760 | ASTRAZENECA AB (SE) | 2011-12-15 | — | — | WO | disclosed |