Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.51 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.51 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.51 |
| ▸ | CTSK | P43235 | 2/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL290172 | 0.89 | CTSC (0.64) | CTSCCTSK | |
| SCHEMBL289950 | 0.89 | CTSC (0.67) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL290045 | 0.88 | CTSC (0.63) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL290339 | 0.86 | CTSC (0.62) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL300214 | 0.81 | CTSC (0.58) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL290568 | 0.80 | CTSC (0.70) | CTSCCTSK | |
| SCHEMBL288812 | 0.79 | CTSC (0.67) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL2890766 | 0.79 | CTSC (0.82) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL2890764 | 0.79 | CTSC (0.82) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL289755 | 0.78 | CTSC (0.69) | 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 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 |