Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.43 |
| ▸ | CTSK | P43235 | 3/20 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL16478215 | 0.84 | CTSC (0.55) | CTSCKCNH2CTSK | |
| Trifluoroacetic Acid SCHEMBL16478345 | 0.81 | CTSC (0.49) | CTSCKCNH2CTSK | |
| SCHEMBL16478364 | 0.79 | CTSC (0.52) | CTSCKCNH2CTSK | |
| SCHEMBL16485803 | 0.78 | CTSC (0.61) | CTSCKCNH2CTSK | |
| Trifluoroacetic Acid SCHEMBL16478357 | 0.78 | CTSC (0.71) | CTSCKCNH2CTSK | |
| Trifluoroacetic Acid SCHEMBL16478344 | 0.76 | CTSC (0.68) | CTSCKCNH2CTSK | |
| SCHEMBL16478363 | 0.76 | CTSC (0.52) | CTSCKCNH2CTSK | |
| Trifluoroacetic Acid SCHEMBL16478370 | 0.75 | CTSC (0.69) | CTSCKCNH2CTSK | |
| SCHEMBL16485830 | 0.74 | CTSC (0.41) | CTSCKCNH2CTSK | |
| Trifluoroacetic Acid SCHEMBL16478346 | 0.72 | CTSC (0.47) | CTSCKCNH2CTSK |
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 |