Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 5/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.33 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.33 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.33 |
| ▸ | CACNA1H | O95180 | 4/20 | 0.32 |
| ▸ | RXRA | P19793 | 1/20 | 0.32 |
| ▸ | RXRB | P28702 | 1/20 | 0.32 |
| ▸ | RXRG | P48443 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | PRKACG | P22612 | 1/20 | 0.31 |
| ▸ | PRKACB | P22694 | 1/20 | 0.31 |
| ▸ | RET | P07949 | 2/20 | 0.31 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.31 |
| ▸ | XDH | P47989 | 1/20 | 0.30 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.30 |
| ▸ | ITGA4 | P13612 | 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 | |
|---|---|---|---|---|
| SCHEMBL290265 | 0.93 | CTSC (0.34) | CTSCKCNH2LTB4RLTB4R2CACNA1H | |
| SCHEMBL290023 | 0.87 | CTSC (0.45) | CTSCKCNH2LTB4RLTB4R2 | |
| SCHEMBL290311 | 0.85 | MMP12 (0.44) | CTSCKCNH2LTB4RLTB4R2XDH | |
| SCHEMBL288985 | 0.85 | MMP1 (0.41) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL290245 | 0.84 | CTSS (0.39) | CTSK | |
| SCHEMBL289589 | 0.83 | RORC (0.37) | CTSC | |
| SCHEMBL290109 | 0.82 | CTSC (0.52) | CTSCCTSKITGB1ITGA4 | |
| SCHEMBL290153 | 0.82 | CD274 (0.35) | CTSCKCNH2LTB4RLTB4R2FFAR1 | |
| SCHEMBL289882 | 0.81 | CTSC (0.32) | CTSCKCNH2LTB4RLTB4R2 | |
| SCHEMBL290319 | 0.81 | CTSC (0.42) | CTSCKCNH2CTSK |
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 |