Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 16/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | CASP3 | P42574 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7254765 | 0.74 | CASP3 (0.38) | CASP1ALDH1A1HPGDCASP3MEN1 | |
| SCHEMBL646188 | 0.73 | CASP1 (0.44) | CASP1CASP3 | |
| SCHEMBL4439353 | 0.72 | CYP3A4 (0.58) | ALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL8764759 | 0.72 | CASP1 (0.47) | CASP1CASP3 | |
| SCHEMBL7426937 | 0.71 | SLC15A1 (0.42) | ALDH1A1HPGDCASP3MAPTMEN1 | |
| SCHEMBL645654 | 0.68 | CASP1 (0.48) | CASP1CASP3 | |
| SCHEMBL1409148 | 0.68 | ALDH1A1 (0.35) | CASP1ALDH1A1HPGDCASP3MAPT | |
| SCHEMBL6405747 | 0.68 | CASP1 (0.37) | CASP1ALDH1A1HPGDCASP3MEN1 | |
| SCHEMBL2217364 | 0.68 | ALDH1A1 (0.35) | CASP1ALDH1A1HPGDCASP3MAPT | |
| SCHEMBL13178975 | 0.68 | CASP1 (0.48) | 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 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 |