Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 13/20 | 0.40 |
| ▸ | GZMB | P10144 | 1/20 | 0.39 |
| ▸ | FFAR3 | O14843 | 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 | |
|---|---|---|---|---|
| SCHEMBL12809931 | 1.00 | CASP3 (0.45) | CASP3CYP2C9CASP1GZMBFFAR3 | |
| SCHEMBL24761171 | 0.83 | CYP2C9 (0.45) | CASP3CYP2C9 | |
| SCHEMBL12324731 | 0.82 | PLA2G2C (0.39) | CYP2C9 | |
| SCHEMBL13397241 | 0.82 | CYP2C9 (0.38) | CASP3CYP2C9CASP1 | |
| SCHEMBL13776517 | 0.82 | CASP3 (0.40) | CASP3CASP1GZMB | |
| SCHEMBL18132943 | 0.82 | CASP3 (0.41) | CASP3CASP1 | |
| SCHEMBL13891807 | 0.82 | CASP3 (0.41) | CASP3CASP1 | |
| SCHEMBL20202996 | 0.82 | KDM4E (0.41) | CASP3CASP1 | |
| SCHEMBL8360127 | 0.81 | CASP3 (0.43) | CASP3CASP1GZMB | |
| SCHEMBL4599055 | 0.81 | CASP3 (0.43) | CASP3CASP1GZMB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0519748-A2 | Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme | MERCK & CO. INC. (US) | 1992-12-23 | — | — | EP | claimed |
| 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 |