Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 10/20 | 0.46 |
| ▸ | CTSL | P07711 | 4/20 | 0.36 |
| ▸ | CTSB | P07858 | 4/20 | 0.36 |
| ▸ | CTSS | P25774 | 4/20 | 0.36 |
| ▸ | CTSK | P43235 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MLYCD | O95822 | 1/20 | 0.34 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.34 |
| ▸ | MC4R | P32245 | 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 | |
|---|---|---|---|---|
| SCHEMBL6186860 | 0.80 | NPC1 (0.47) | CASREPHX2 | |
| SCHEMBL6182151 | 0.74 | NAMPT (0.44) | CTSSMLYCDMC4R | |
| SCHEMBL7482944 | 0.72 | JAK2 (0.43) | CTSLCTSBCTSSCTSK | |
| SCHEMBL7482953 | 0.71 | CTSL (0.34) | CTSLCTSBCTSSCTSK | |
| SCHEMBL6186854 | 0.68 | NPC1 (0.48) | CASREPHX2 | |
| Trifluoroacetic Acid SCHEMBL7045149 | 0.66 | CTSL (0.42) | CTSLCTSBCTSSCTSKEPHX2 | |
| Trifluoroacetic Acid SCHEMBL6183907 | 0.64 | FAAH (0.46) | — | |
| SCHEMBL6182109 | 0.64 | CTSS (0.46) | CTSLCTSBCTSSCTSK | |
| SCHEMBL6183132 | 0.62 | GAA (0.48) | — | |
| SCHEMBL6182144 | 0.62 | NAMPT (0.46) | MLYCDMC4R |
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-2001068645-A2 | N-CYANOMETHYLCARBOXAMIDES AND THEIR USE AS PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2001-09-20 | — | — | WO | claimed |