Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 5/20 | 0.52 |
| ▸ | CTSK | P43235 | 9/20 | 0.38 |
| ▸ | CTSS | P25774 | 9/20 | 0.37 |
| ▸ | CTSL | P07711 | 8/20 | 0.37 |
| ▸ | CTSB | P07858 | 5/20 | 0.37 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 3/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.34 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.34 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.34 |
| ▸ | ITGB7 | P26010 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL290311 | 0.86 | MMP12 (0.44) | CTSC | |
| SCHEMBL289589 | 0.85 | RORC (0.37) | CTSCMMP3 | |
| SCHEMBL299846 | 0.83 | MMP1 (0.35) | CTSCMMP3 | |
| SCHEMBL290265 | 0.82 | CTSC (0.34) | CTSCCTSKCTSSCTSLCTSB | |
| SCHEMBL290665 | 0.82 | CTSC (0.34) | CTSCCTSKITGB1ITGA4 | |
| SCHEMBL288985 | 0.82 | MMP1 (0.41) | CTSCCTSKCTSSCTSLCTSB | |
| SCHEMBL290023 | 0.82 | CTSC (0.45) | CTSC | |
| SCHEMBL290245 | 0.81 | CTSS (0.39) | CTSKCTSS | |
| SCHEMBL290431 | 0.81 | GAA (0.48) | — | |
| SCHEMBL290153 | 0.79 | CD274 (0.35) | CTSCCTSKMMP3 |
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 |