Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 17/20 | 0.47 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.42 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.42 |
| ▸ | ITGAL | P20701 | 1/20 | 0.42 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.42 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6801048 | 0.79 | CASP3 (0.52) | CASP1ITGB2ICAM1ITGALTXNRD1 | |
| SCHEMBL13178975 | 0.78 | CASP1 (0.48) | CASP1CASP3 | |
| SCHEMBL644624 | 0.78 | CASP1 (0.48) | CASP1CASP3 | |
| SCHEMBL645654 | 0.78 | CASP1 (0.48) | CASP1CASP3 | |
| SCHEMBL6281724 | 0.77 | CASP1 (0.59) | CASP1CASP3 | |
| SCHEMBL6801541 | 0.77 | CASP1 (0.59) | CASP1CASP3 | |
| SCHEMBL7256039 | 0.76 | CASP1 (0.50) | CASP1CASP3 | |
| SCHEMBL6800767 | 0.76 | RECQL (0.52) | ITGB2ICAM1ITGALCASP3 | |
| SCHEMBL646188 | 0.75 | CASP1 (0.44) | CASP1CASP3 | |
| SCHEMBL4439353 | 0.75 | CYP3A4 (0.58) | TXNRD1 |
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 |