Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSB | P07858 | 19/20 | 0.53 |
| ▸ | CTSK | P43235 | 19/20 | 0.53 |
| ▸ | CTSS | P25774 | 17/20 | 0.53 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8113151 | 0.81 | CTSB (0.55) | CTSBCTSKCTSSGRM1KCNH2 | |
| SCHEMBL8111374 | 0.77 | CTSB (0.59) | CTSBCTSKCTSSKCNH2 | |
| SCHEMBL8109875 | 0.77 | CTSB (0.58) | CTSBCTSKCTSSKCNH2 | |
| SCHEMBL8099434 | 0.77 | CTSK (0.54) | CTSBCTSKCTSS | |
| SCHEMBL8108226 | 0.76 | CTSK (0.69) | CTSBCTSKCTSS | |
| SCHEMBL8107799 | 0.76 | CTSK (0.55) | CTSBCTSKCTSS | |
| SCHEMBL8113087 | 0.74 | CTSK (0.65) | CTSBCTSKCTSS | |
| SCHEMBL8113972 | 0.73 | CTSK (0.48) | CTSBCTSKCTSS | |
| SCHEMBL8108928 | 0.72 | CTSK (0.52) | CTSBCTSKCTSS | |
| SCHEMBL4589089 | 0.71 | SUV39H2 (0.49) | — |
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 |