Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 20/20 | 0.49 |
| ▸ | CTSK | P43235 | 4/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.38 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL299893 | 0.89 | CTSC (0.46) | CTSCCTSKKCNH2LTB4RLTB4R2 | |
| SCHEMBL2885772 | 0.86 | CTSC (0.47) | CTSCCTSK | |
| SCHEMBL298828 | 0.86 | CTSC (0.61) | CTSCCTSKKCNH2LTB4RLTB4R2 | |
| SCHEMBL7866073 | 0.80 | CTSC (0.44) | CTSCCTSK | |
| SCHEMBL9886042 | 0.80 | CTSC (0.56) | CTSCCTSKKCNH2LTB4RLTB4R2 | |
| SCHEMBL2888637 | 0.78 | CTSC (0.77) | CTSCCTSKKCNH2LTB4RLTB4R2 | |
| SCHEMBL2888632 | 0.78 | CTSC (0.77) | CTSCCTSKKCNH2LTB4RLTB4R2 | |
| Trifluoroacetic Acid SCHEMBL2890511 | 0.77 | CTSC (0.71) | CTSCCTSKKCNH2LTB4RLTB4R2 | |
| SCHEMBL2888765 | 0.76 | CTSC (0.78) | CTSCCTSKKCNH2LTB4RLTB4R2 | |
| SCHEMBL298506 | 0.76 | CTSC (0.59) | 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 1 patent. 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 | disclosed |