Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.67 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.65 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.65 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.65 |
| ▸ | CTSK | P43235 | 3/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL289987 | 0.89 | CTSC (0.61) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL290045 | 0.86 | CTSC (0.63) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL290339 | 0.86 | CTSC (0.62) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL290172 | 0.85 | CTSC (0.64) | CTSCCTSK | |
| SCHEMBL26986848 | 0.84 | CTSC (0.80) | CTSCKCNH2CTSK | |
| SCHEMBL27125666 | 0.84 | CTSC (0.80) | CTSCKCNH2CTSK | |
| SCHEMBL26986847 | 0.84 | CTSC (0.64) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL27127424 | 0.84 | CTSC (0.64) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| Trifluoroacetic Acid SCHEMBL16478357 | 0.83 | CTSC (0.71) | CTSCKCNH2CTSK | |
| SCHEMBL300214 | 0.81 | CTSC (0.58) | CTSCKCNH2LTB4RLTB4R2CTSK |
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 |