Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 17/20 | 0.45 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL290107 | 0.89 | CTSC (0.49) | CTSCKCNH2 | |
| SCHEMBL290463 | 0.87 | CTSC (0.49) | CTSCKCNH2 | |
| SCHEMBL2892720 | 0.85 | CTSC (0.58) | CTSCKCNH2CTSK | |
| SCHEMBL288781 | 0.84 | CTSC (0.43) | CTSCGPR55KCNH2CTSK | |
| SCHEMBL290266 | 0.81 | CTSC (0.38) | CTSCKCNH2CTSK | |
| SCHEMBL290666 | 0.81 | CTSC (0.38) | CTSCKCNH2CTSK | |
| SCHEMBL290024 | 0.80 | CTSC (0.49) | CTSCKCNH2CTSK | |
| SCHEMBL288986 | 0.80 | MMP1 (0.41) | CTSCKCNH2CTSK | |
| SCHEMBL290246 | 0.79 | ALDH1A1 (0.41) | CTSCCTSK | |
| SCHEMBL290293 | 0.79 | CTSC (0.50) | 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 |