Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSC | P53634 | 7/20 | 0.38 |
| ▸ | CTSL | P07711 | 10/20 | 0.37 |
| ▸ | CTSB | P07858 | 9/20 | 0.37 |
| ▸ | CTSS | P25774 | 9/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 8/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL290266 | 0.94 | CTSC (0.38) | CTSCCTSLCTSBCTSSKCNH2 | |
| SCHEMBL290024 | 0.87 | CTSC (0.49) | CTSCCTSLCTSBCTSSKCNH2 | |
| SCHEMBL290312 | 0.85 | CTSC (0.41) | CTSCCTSLCTSBCTSSKCNH2 | |
| SCHEMBL288986 | 0.85 | MMP1 (0.41) | CTSCCTSLCTSBCTSSKCNH2 | |
| SCHEMBL290246 | 0.84 | ALDH1A1 (0.41) | CTSCCTSLCTSBCTSSCTSK | |
| SCHEMBL289590 | 0.83 | CTSC (0.38) | CTSCCTSLCTSBCTSSKCNH2 | |
| SCHEMBL2891434 | 0.83 | CTSC (0.56) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL290110 | 0.82 | CTSC (0.56) | CTSCCTSLCTSBCTSSCTSK | |
| SCHEMBL290154 | 0.82 | FFAR1 (0.40) | CTSCCTSLCTSBCTSSKCNH2 | |
| SCHEMBL289883 | 0.81 | CTSL (0.37) | CTSCCTSLCTSBCTSSKCNH2 |
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 |