Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 14/20 | 0.51 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.43 |
| ▸ | IL1B | P01584 | 2/20 | 0.42 |
| ▸ | LTA4H | P09960 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL949765 | 1.00 | CASP1 (0.51) | CASP1CAPN1IL1BLTA4H | |
| SCHEMBL8763116 | 0.94 | CASP1 (0.48) | CASP1CAPN1IL1BLTA4H | |
| SCHEMBL948289 | 0.94 | CASP1 (0.48) | CASP1CAPN1IL1BLTA4H | |
| SCHEMBL949774 | 0.91 | CASP1 (0.44) | CASP1CAPN1IL1BLTA4H | |
| SCHEMBL8764143 | 0.91 | CASP1 (0.44) | CASP1CAPN1IL1BLTA4H | |
| SCHEMBL14369966 | 0.83 | CASP1 (0.51) | CASP1CAPN1IL1B | |
| SCHEMBL8763131 | 0.80 | CASP1 (0.47) | CASP1CAPN1IL1BLTA4H | |
| SCHEMBL949786 | 0.80 | CASP1 (0.47) | CASP1CAPN1IL1BLTA4H | |
| SCHEMBL13197115 | 0.78 | CASP1 (0.48) | CASP1CAPN1IL1B | |
| SCHEMBL8762987 | 0.77 | CASP1 (0.43) | CASP1IL1BLTA4H |
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-0784628-A1 | INHIBITORS OF INTERLEUKIN-1$g(b) CONVERTING ENZYME | Vertex Pharmaceuticals Incorporated (US) | 1997-07-23 | — | — | EP | disclosed |
| WO-1995035308-A1 | INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | VERTEX PHARMACEUTICALS INCORPORATED (US) | 1995-12-28 | — | — | WO | disclosed |