Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 3/20 | 0.34 |
| ▸ | MMP1 | P03956 | 4/20 | 0.34 |
| ▸ | MMP13 | P45452 | 4/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.33 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.33 |
| ▸ | ITGB1 | P05556 | 7/20 | 0.33 |
| ▸ | ITGA4 | P13612 | 7/20 | 0.33 |
| ▸ | ITGB7 | P26010 | 4/20 | 0.32 |
| ▸ | MMP9 | P14780 | 2/20 | 0.31 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.31 |
| ▸ | MMP3 | P08254 | 1/20 | 0.31 |
| ▸ | MMP8 | P22894 | 1/20 | 0.31 |
| ▸ | MMP14 | P50281 | 1/20 | 0.31 |
| ▸ | RORC | P51449 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | ATR | Q13535 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL290586 | 0.82 | CTSC (0.34) | CTSCKCNH2LTB4RLTB4R2 | |
| SCHEMBL299948 | 0.79 | ITGB1 (0.42) | CTSCITGB1ITGA4ITGB7 | |
| SCHEMBL289266 | 0.77 | CTSC (0.47) | CTSCKCNH2LTB4RLTB4R2 | |
| SCHEMBL299846 | 0.76 | MMP1 (0.35) | CTSCMMP1MMP13KCNH2LTB4R | |
| SCHEMBL298671 | 0.72 | ITGB1 (0.44) | CTSCITGB1ITGA4ITGB7RORC | |
| SCHEMBL290368 | 0.71 | GHSR (0.35) | CTSCKCNH2LTB4RLTB4R2ATM | |
| SCHEMBL2892631 | 0.70 | CTSC (0.56) | CTSCKCNH2LTB4RLTB4R2 | |
| SCHEMBL289589 | 0.69 | RORC (0.37) | CTSCMMP1MMP13MMP9MMP2 | |
| SCHEMBL299918 | 0.66 | CTSC (0.48) | CTSCKCNH2LTB4RLTB4R2 | |
| SCHEMBL289590 | 0.64 | CTSC (0.38) | CTSCMMP1MMP13KCNH2LTB4R |
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 |