Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 16/20 | 0.45 |
| ▸ | CASP3 | P42574 | 4/20 | 0.40 |
| ▸ | CASP7 | P55210 | 1/20 | 0.38 |
| ▸ | CASP9 | P55211 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL3588248 | 0.88 | CASP1 (0.56) | CASP1CASP3CASP7CASP9CASP6 | |
| SCHEMBL3588243 | 0.88 | CASP1 (0.56) | CASP1CASP3CASP7CASP9CASP6 | |
| SCHEMBL3590134 | 0.85 | CASP1 (0.55) | CASP1CASP3CASP7CASP8 | |
| SCHEMBL3590130 | 0.85 | CASP1 (0.55) | CASP1CASP3CASP7CASP8 | |
| SCHEMBL311896 | 0.81 | CASP1 (0.54) | CASP1CASP3CASP7CASP9CASP6 | |
| SCHEMBL311895 | 0.81 | CASP1 (0.54) | CASP1CASP3CASP7CASP9CASP6 | |
| SCHEMBL78528 | 0.76 | CASP1 (0.49) | CASP1 | |
| SCHEMBL78526 | 0.76 | CASP1 (0.49) | CASP1 | |
| SCHEMBL78527 | 0.76 | CASP1 (0.49) | CASP1 | |
| SCHEMBL12046721 | 0.76 | CASP1 (0.46) | CASP1CASP3 |
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-2003088917-A2 | REGULATION OF TNF-ALPHA | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2003-10-30 | — | — | WO | disclosed |