Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 8/20 | 0.62 |
| ▸ | CASP3 | P42574 | 8/20 | 0.62 |
| ▸ | CTSK | P43235 | 9/20 | 0.56 |
| ▸ | CASP6 | P55212 | 7/20 | 0.51 |
| ▸ | CASP8 | Q14790 | 6/20 | 0.51 |
| ▸ | CASP7 | P55210 | 6/20 | 0.51 |
| ▸ | CAPN1 | P07384 | 2/20 | 0.46 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6577927 | 0.92 | CASP1 (0.59) | CASP1CASP3CTSKCASP6CASP8 | |
| SCHEMBL6578042 | 0.87 | CTSK (0.54) | CASP1CASP3CTSKCAPN1CTSL | |
| SCHEMBL6584216 | 0.86 | CTSK (0.57) | CASP1CASP3CTSKCASP6CASP8 | |
| SCHEMBL6578205 | 0.85 | CASP1 (0.61) | CASP1CASP3CTSKCASP6CASP8 | |
| SCHEMBL6578192 | 0.83 | CTSK (0.65) | CASP1CASP3CTSKCTSL | |
| SCHEMBL6581051 | 0.81 | CASP1 (0.59) | CASP1CASP3CTSKCASP6CASP8 | |
| SCHEMBL6580161 | 0.80 | CTSK (0.66) | CASP1CASP3CTSKCTSL | |
| SCHEMBL6581280 | 0.80 | CTSK (0.61) | CASP3CTSKCTSL | |
| SCHEMBL6577962 | 0.79 | CASP1 (0.54) | CASP1CASP3CTSKCASP6CASP8 | |
| SCHEMBL6577864 | 0.79 | CTSK (0.52) | CASP1CASP3CTSKCASP6CASP8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0936912-B1 | INHIBITORS OF CYSTEINE PROTEASE | SMITHKLINE BEECHAM CORP (US) | 2004-02-11 | — | — | EP | claimed |