Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 18/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | ACE | P12821 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7277477 | 0.94 | CASP1 (0.60) | CASP1ALDH1A1ACE | |
| SCHEMBL7277471 | 0.93 | CASP1 (0.59) | CASP1ALDH1A1ACE | |
| SCHEMBL5832716 | 0.89 | CASP1 (0.56) | CASP1ALDH1A1 | |
| SCHEMBL7286930 | 0.85 | CASP1 (0.52) | CASP1ALDH1A1 | |
| SCHEMBL2801332 | 0.81 | CASP1 (0.54) | CASP1 | |
| SCHEMBL12450829 | 0.81 | CASP1 (0.53) | CASP1 | |
| SCHEMBL8764106 | 0.80 | SMN1; SMN2 (0.47) | CASP1 | |
| SCHEMBL1409869 | 0.80 | SMN1; SMN2 (0.47) | CASP1 | |
| SCHEMBL8360706 | 0.79 | SMN1; SMN2 (0.49) | CASP1ALDH1A1 | |
| SCHEMBL5832014 | 0.79 | SMN1; SMN2 (0.49) | CASP1ALDH1A1 |
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 |