Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 18/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.48 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.48 |
| ▸ | CTSK | P43235 | 7/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CTSH | P09668 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.37 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL289803 | 0.93 | CTSC (0.47) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL289031 | 0.87 | CTSC (0.74) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL289032 | 0.87 | CTSC (0.74) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL2891434 | 0.85 | CTSC (0.56) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL2890866 | 0.84 | CTSC (0.55) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL2890771 | 0.84 | CTSC (0.56) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL2884861 | 0.83 | CTSC (0.61) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL289515 | 0.81 | CTSC (0.72) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL2890791 | 0.80 | CTSC (0.77) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL289850 | 0.80 | CTSC (0.63) | 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 | disclosed |
| WO-2010128324-A1 | SUBSTITUTED 1-CYANOETHYLHETEROCYCLYLCARBOXAMIDE COMPOUNDS 750 | ASTRAZENECA AB (SE) | 2010-11-11 | — | — | WO | disclosed |