Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 3/20 | 0.54 |
| ▸ | REN | P00797 | 7/20 | 0.48 |
| ▸ | BACE1 | P56817 | 2/20 | 0.45 |
| ▸ | BACE2 | Q9Y5Z0 | 2/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | CASP3 | P42574 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | CASP9 | P55211 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7418200 | 0.91 | CASP1 (0.62) | CASP1RENBACE1BACE2OPRD1 | |
| SCHEMBL7420728 | 0.87 | CASP1 (0.57) | CASP1RENBACE1BACE2OPRD1 | |
| SCHEMBL7416737 | 0.84 | CASP1 (0.53) | CASP1RENBACE1BACE2OPRD1 | |
| SCHEMBL5081623 | 0.83 | CASP1 (0.60) | CASP1RENBACE1BACE2OPRD1 | |
| SCHEMBL7296792 | 0.80 | CASP1 (0.55) | CASP1RENBACE1BACE2OPRD1 | |
| SCHEMBL5689768 | 0.78 | CASP1 (0.59) | CASP1RENBACE1BACE2OPRD1 | |
| SCHEMBL27825824 | 0.78 | CASP1 (0.67) | CASP1BACE1BACE2OPRD1CASP3 | |
| SCHEMBL9241543 | 0.78 | CASP1 (0.67) | CASP1BACE1BACE2OPRD1CASP3 | |
| SCHEMBL14370014 | 0.77 | CASP1 (0.60) | CASP1RENBACE1BACE2OPRD1 | |
| SCHEMBL2314756 | 0.76 | CASP1 (0.61) | CASP1BACE1BACE2OPRD1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1993014777-A1 | PEPTIDYL DERIVATIVES AS INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | MERCK & CO., INC. (US) | 1993-08-05 | — | — | WO | disclosed |