Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 10/20 | 0.45 |
| ▸ | CASP3 | P42574 | 4/20 | 0.45 |
| ▸ | CASP9 | P55211 | 3/20 | 0.45 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.42 |
| ▸ | IL1B | P01584 | 2/20 | 0.42 |
| ▸ | F2 | P00734 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CASP4 | P49662 | 1/20 | 0.41 |
| ▸ | CASP5 | P51878 | 1/20 | 0.41 |
| ▸ | CASP6 | P55212 | 1/20 | 0.41 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.41 |
| ▸ | CASP10 | Q92851 | 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 | |
|---|---|---|---|---|
| SCHEMBL7283427 | 0.93 | CASP1 (0.52) | CASP1CASP3CASP9CASP7IL1B | |
| SCHEMBL7276320 | 0.86 | CASP1 (0.60) | CASP1CASP3CASP9GRIA1CASP7 | |
| SCHEMBL29946163 | 0.86 | CASP1 (0.60) | CASP1CASP3CASP9GRIA1CASP7 | |
| SCHEMBL7284663 | 0.85 | CASP1 (0.51) | CASP1CASP3CASP9CASP7IL1B | |
| SCHEMBL7277278 | 0.79 | SMN1; SMN2 (0.57) | CASP1CASP3CASP9CASP7F2 | |
| SCHEMBL7277133 | 0.77 | CASP1 (0.56) | CASP1CASP3IL1B | |
| SCHEMBL622416 | 0.77 | CTSB (0.54) | CASP1CASP3GRIA1CASP7IL1B | |
| SCHEMBL9601523 | 0.77 | CASP1 (0.51) | CASP1CASP3CASP9GRIA1CASP7 | |
| SCHEMBL7286570 | 0.76 | CASP1 (0.40) | CASP1CASP3GRIA1IL1BF2 | |
| SCHEMBL30641532 | 0.75 | NPY1R (0.54) | — |
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 |