Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 19/20 | 0.51 |
| ▸ | CTSB | P07858 | 16/20 | 0.51 |
| ▸ | CTSS | P25774 | 15/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL13065393 | 0.82 | KMT2A (0.49) | CTSKCTSBCTSSKCNH2CYP3A4 | |
| SCHEMBL13551798 | 0.82 | KMT2A (0.49) | CTSKCTSBCTSSKCNH2CYP3A4 | |
| SCHEMBL2241403 | 0.80 | CTSK (0.51) | CTSKCTSBCTSSKCNH2CYP3A4 | |
| SCHEMBL2241406 | 0.80 | CTSK (0.51) | CTSKCTSBCTSSKCNH2CYP3A4 | |
| SCHEMBL14642110 | 0.80 | CTSK (0.51) | CTSKCTSBCTSSKCNH2CYP3A4 | |
| SCHEMBL13064566 | 0.79 | KMT2A (0.49) | CTSKCTSBCTSSKCNH2CYP3A4 | |
| SCHEMBL4573152 | 0.75 | CTSB (0.67) | CTSKCTSBCTSSKCNH2CYP3A4 | |
| SCHEMBL13551875 | 0.74 | CTSS (0.43) | CTSKCTSBCTSS | |
| SCHEMBL13553343 | 0.72 | CTSS (0.42) | CTSKCTSBCTSS | |
| SCHEMBL13552506 | 0.72 | CTSS (0.42) | CTSKCTSS |
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-2009001128-A1 | 1,2-CYCL0HEXANE DICARBOXAMIDES AS CATHEPSIN INHIBITORS | ASTRAZENECA AB (SE) | 2008-12-31 | — | — | WO | disclosed |