Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 20/20 | 0.69 |
| ▸ | CTSS | P25774 | 19/20 | 0.69 |
| ▸ | CTSK | P43235 | 18/20 | 0.69 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | CTSL | P07711 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL8112921 | 0.90 | CTSK (0.61) | CTSBCTSSCTSKKCNH2CYP3A4 | |
| SCHEMBL4573152 | 0.89 | CTSB (0.67) | CTSBCTSSCTSKKCNH2CYP3A4 | |
| SCHEMBL4757161 | 0.81 | CTSK (0.69) | CTSBCTSSCTSKKCNH2CTSL | |
| SCHEMBL8111663 | 0.81 | CTSK (0.69) | CTSBCTSSCTSKKCNH2CTSL | |
| SCHEMBL8115758 | 0.81 | CTSK (1.00) | CTSBCTSSCTSKKCNH2 | |
| SCHEMBL8123352 | 0.80 | CTSB (0.56) | CTSBCTSSCTSKKCNH2CYP3A4 | |
| SCHEMBL8106379 | 0.80 | CTSK (0.76) | CTSBCTSSCTSKKCNH2 | |
| SCHEMBL8108096 | 0.80 | CTSB (0.70) | CTSBCTSSCTSKKCNH2CTSL | |
| SCHEMBL8105988 | 0.79 | CTSK (0.69) | CTSBCTSSCTSKKCNH2CTSL | |
| SCHEMBL4789866 | 0.79 | CTSK (0.70) | CTSBCTSSCTSKKCNH2CTSL |
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 |