Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 11/20 | 0.52 |
| ▸ | IL1B | P01584 | 4/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
| ▸ | BIRC3 | Q13489 | 1/20 | 0.42 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL950189 | 1.00 | CASP1 (0.52) | CASP1IL1BHPGDSMN1; SMN2XIAP | |
| SCHEMBL12914620 | 1.00 | CASP1 (0.52) | CASP1IL1BHPGDSMN1; SMN2XIAP | |
| SCHEMBL950190 | 1.00 | CASP1 (0.52) | CASP1IL1BHPGDSMN1; SMN2XIAP | |
| SCHEMBL12450522 | 0.94 | CASP1 (0.46) | CASP1IL1BHPGDSMN1; SMN2XIAP | |
| SCHEMBL12946457 | 0.92 | CASP1 (0.42) | CASP1IL1BHPGDSMN1; SMN2XIAP | |
| SCHEMBL13197149 | 0.90 | CASP1 (0.51) | CASP1IL1BHPGDSMN1; SMN2XIAP | |
| SCHEMBL12450934 | 0.90 | CASP1 (0.51) | CASP1IL1BHPGDSMN1; SMN2XIAP | |
| SCHEMBL8763113 | 0.84 | XIAP (0.43) | HPGDSMN1; SMN2XIAPBIRC3BIRC2 | |
| SCHEMBL12450520 | 0.83 | CASP1 (0.46) | CASP1IL1BBIRC2KMT2A | |
| SCHEMBL13201994 | 0.83 | CTSK (0.43) | CASP1XIAPBIRC3BIRC2 |
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 |
|---|---|---|---|---|---|---|---|
| US-7288624-B2 | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2007-10-30 | — | — | US | disclosed |