Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.44 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.44 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.44 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL289986 | 0.89 | CTSC (0.42) | CTSC | |
| SCHEMBL290044 | 0.87 | CTSC (0.44) | CTSC | |
| SCHEMBL290338 | 0.87 | CTSC (0.44) | CTSC | |
| SCHEMBL290171 | 0.86 | CTSC (0.45) | CTSCCTSK | |
| SCHEMBL290567 | 0.81 | CTSC (0.51) | CTSCCTSK | |
| SCHEMBL288811 | 0.80 | CTSC (0.49) | CTSC | |
| SCHEMBL289754 | 0.79 | CTSC (0.52) | CTSCKCNH2CTSK | |
| SCHEMBL289369 | 0.79 | CTSC (0.53) | CTSCCTSK | |
| SCHEMBL299868 | 0.78 | CTSC (0.47) | CTSCCTSK | |
| SCHEMBL299206 | 0.78 | CTSC (0.53) | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2427445-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | AstraZeneca AB (SE) | 2012-03-14 | — | — | EP | claimed |
| EP-2427445-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | AstraZeneca AB (SE) | 2012-03-14 | — | — | EP | disclosed |