Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 20/20 | 0.79 |
| ▸ | CTSK | P43235 | 20/20 | 0.79 |
| ▸ | CTSS | P25774 | 14/20 | 0.79 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.79 |
| ▸ | CTSL | P07711 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL8113806 | 0.83 | CTSK (1.00) | CTSBCTSKCTSSKCNH2CTSL | |
| SCHEMBL8104168 | 0.82 | CTSB (1.00) | CTSBCTSKCTSSKCNH2CTSL | |
| SCHEMBL8099073 | 0.82 | CTSB (1.00) | CTSBCTSKCTSSKCNH2CYP3A4 | |
| SCHEMBL8108722 | 0.81 | CTSB (1.00) | CTSBCTSKCTSSKCNH2CTSL | |
| SCHEMBL4589750 | 0.81 | CTSK (0.94) | CTSBCTSKCTSSKCNH2CTSL | |
| SCHEMBL8099124 | 0.77 | CTSK (0.75) | CTSBCTSKCTSSKCNH2CTSL | |
| SCHEMBL8123486 | 0.75 | CTSB (1.00) | CTSBCTSKCTSSKCNH2CYP3A4 | |
| SCHEMBL8113821 | 0.75 | CTSB (1.00) | CTSBCTSKCTSSKCNH2CTSL | |
| SCHEMBL8105829 | 0.74 | CTSB (1.00) | CTSBCTSKCTSSKCNH2CTSL | |
| SCHEMBL8123338 | 0.73 | CTSK (1.00) | CTSBCTSKCTSSKCNH2CTSL |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009001127-A1 | CYANOCYCLOPROPYLCARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |