Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.58 |
| ▸ | MMP2 | P08253 | 15/20 | 0.36 |
| ▸ | MMP3 | P08254 | 6/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7275911 | 0.92 | CASP1 (0.52) | CASP1MMP2MMP3CASP3 | |
| SCHEMBL7285059 | 0.85 | CASP3 (0.44) | CASP1CASP3ITGB3ITGA2B | |
| SCHEMBL7287140 | 0.85 | CASP1 (0.43) | CASP1MMP2MMP3 | |
| SCHEMBL7277260 | 0.84 | CASP1 (0.41) | CASP1CASP3 | |
| SCHEMBL7286995 | 0.82 | CASP1 (0.40) | CASP1CASP3 | |
| SCHEMBL9153609 | 0.80 | CASP1 (0.37) | CASP1 | |
| SCHEMBL7414938 | 0.79 | KMT2A (0.35) | CASP1CASP3 | |
| SCHEMBL7275377 | 0.78 | MMP2 (0.35) | CASP1MMP2MMP3 | |
| SCHEMBL7277122 | 0.78 | CASP1 (0.51) | CASP1 | |
| SCHEMBL7301728 | 0.77 | CTSC (0.47) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0519748-B1 | Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme | MERCK & CO INC (US) | 1998-09-02 | — | — | EP | disclosed |
| US-5434248-A | Peptidyl derivatives as inhibitors of interleukin-1β converting enzyme | MERCK & CO., INC. (US) | 1995-07-18 | — | — | US | disclosed |
| EP-0519748-A2 | Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme | MERCK & CO. INC. (US) | 1992-12-23 | — | — | EP | disclosed |