Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 4/20 | 0.48 |
| ▸ | CTSK | P43235 | 8/20 | 0.46 |
| ▸ | CASP1 | P29466 | 2/20 | 0.42 |
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | CTSH | P09668 | 2/20 | 0.41 |
| ▸ | CNR1 | P21554 | 4/20 | 0.39 |
| ▸ | Q9HBH1 | 1/20 | 0.39 | |
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 | |
|---|---|---|---|---|
| SCHEMBL13018867 | 1.00 | CASP3 (0.48) | CASP3CTSKCASP1CTSLCTSB | |
| SCHEMBL14048819 | 1.00 | CASP3 (0.48) | CASP3CTSKCASP1CTSLCTSB | |
| SCHEMBL13019043 | 1.00 | CASP3 (0.48) | CASP3CTSKCASP1CTSLCTSB | |
| SCHEMBL13776558 | 0.83 | CA2 (0.51) | CASP3CTSKCASP1PDF | |
| SCHEMBL14932685 | 0.76 | CTSK (0.62) | CTSKCTSLCTSBCTSH | |
| SCHEMBL16882420 | 0.76 | CTSK (0.47) | CTSKCTSLCTSBCTSHCNR1 | |
| SCHEMBL22807628 | 0.75 | ENPEP (0.46) | ||
| SCHEMBL5668501 | 0.75 | PAX8 (0.46) | CASP3CASP1 | |
| SCHEMBL25583190 | 0.75 | PAX8 (0.46) | CASP3CASP1 | |
| SCHEMBL12640038 | 0.75 | GNAI3 (0.47) | CTSKCTSLCTSBCTSHCNR1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2261234-A2 | Inhibitors of caspases | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2010-12-15 | — | — | EP | disclosed |
| EP-2011800-A2 | Inhibitors of caspase | Vertex Pharmaceuticals Incorporated (US) | 2009-01-07 | — | — | EP | disclosed |