Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 11/20 | 0.65 |
| ▸ | IL1B | P01584 | 2/20 | 0.60 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.40 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.40 |
| ▸ | GZMB | P10144 | 2/20 | 0.39 |
| ▸ | ACE | P12821 | 3/20 | 0.36 |
| ▸ | MME | P08473 | 1/20 | 0.35 |
| ▸ | F2 | P00734 | 2/20 | 0.35 |
| ▸ | PLG | P00747 | 2/20 | 0.35 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL13776553 | 0.98 | CASP1 (0.65) | CASP1IL1BITGB1ITGA4GZMB | |
| SCHEMBL13637589 | 0.97 | CASP1 (0.66) | CASP1IL1BITGB1ITGA4GZMB | |
| SCHEMBL13776632 | 0.90 | CASP1 (0.54) | CASP1IL1BITGB1ITGA4GZMB | |
| SCHEMBL10199464 | 0.88 | CASP1 (0.67) | CASP1IL1BITGB1ITGA4GZMB | |
| SCHEMBL10247908 | 0.86 | CASP1 (0.60) | CASP1IL1BITGB1ITGA4GZMB | |
| SCHEMBL10199220 | 0.86 | CASP1 (0.60) | CASP1IL1BITGB1ITGA4GZMB | |
| SCHEMBL13776537 | 0.84 | CASP1 (0.73) | CASP1IL1BGZMBACEMME | |
| SCHEMBL10248039 | 0.83 | CASP1 (0.56) | CASP1IL1BITGB1ITGA4GZMB | |
| SCHEMBL10199580 | 0.83 | CASP1 (0.56) | CASP1IL1BITGB1ITGA4GZMB | |
| SCHEMBL10247768 | 0.83 | CASP1 (0.56) | CASP1IL1BITGB1ITGA4GZMB |
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 |
|---|---|---|---|---|---|---|---|
| EP-2083014-A2 | Inhibitors of interleukin-1ß converting enzyme | Vertex Pharmceuticals Incorporated (US) | 2009-07-29 | — | — | EP | disclosed |