Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 15/20 | 0.51 |
| ▸ | IL1B | P01584 | 2/20 | 0.46 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 3/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | CASP9 | P55211 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7277133 | 0.92 | CASP1 (0.56) | CASP1IL1BCASP3 | |
| SCHEMBL7286579 | 0.85 | CASP1 (0.45) | CASP1IL1BCASP3CASP7CASP9 | |
| SCHEMBL7443313 | 0.83 | CASP1 (0.59) | CASP1IL1B | |
| SCHEMBL622416 | 0.83 | CTSB (0.54) | CASP1IL1BOPRD1CASP3CASP7 | |
| SCHEMBL13951155 | 0.83 | CASP1 (0.55) | CASP1CASP3 | |
| SCHEMBL13020075 | 0.83 | CASP1 (0.55) | CASP1CASP3 | |
| SCHEMBL29946109 | 0.82 | CASP1 (0.61) | CASP1OPRD1CASP3CASP7 | |
| SCHEMBL4349143 | 0.81 | CASP1 (0.75) | CASP1OPRD1CASP3CASP7CASP9 | |
| SCHEMBL7277740 | 0.81 | CASP1 (0.75) | CASP1OPRD1CASP3CASP7CASP9 | |
| SCHEMBL29946118 | 0.79 | CASP1 (0.55) | CASP1OPRD1CASP3CASP7CASP9 |
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 |