Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 3/20 | 0.58 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.58 |
| ▸ | CASP1 | P29466 | 4/20 | 0.57 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.51 |
| ▸ | CASP3 | P42574 | 2/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | CASP9 | P55211 | 1/20 | 0.47 |
| ▸ | CPA1 | P15085 | 1/20 | 0.46 |
| ▸ | CPA2 | P48052 | 1/20 | 0.46 |
| ▸ | CPA4 | Q9UI42 | 1/20 | 0.46 |
| ▸ | REN | P00797 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7747439 | 0.99 | BACE1 (0.57) | BACE1BACE2CASP1OPRD1CASP3 | |
| SCHEMBL7277216 | 0.97 | BACE1 (0.58) | BACE1BACE2CASP1OPRD1CASP3 | |
| SCHEMBL7165559 | 0.90 | CASP1 (0.60) | BACE1BACE2CASP1CASP3CASP7 | |
| SCHEMBL7284988 | 0.90 | CASP1 (0.49) | BACE1BACE2CASP1OPRD1CASP3 | |
| SCHEMBL7287204 | 0.90 | CASP1 (0.49) | BACE1BACE2CASP1OPRD1CASP3 | |
| SCHEMBL7164794 | 0.88 | CASP1 (0.57) | BACE1BACE2CASP1CASP3CASP7 | |
| SCHEMBL7275856 | 0.87 | CASP1 (0.49) | BACE1BACE2CASP1OPRD1CASP3 | |
| SCHEMBL17429544 | 0.87 | CASP1 (0.49) | BACE1BACE2CASP1OPRD1CASP3 | |
| SCHEMBL24310825 | 0.85 | CASP1 (0.63) | BACE1BACE2CASP1OPRD1CASP3 | |
| SCHEMBL18087495 | 0.85 | CASP1 (0.63) | BACE1BACE2CASP1OPRD1CASP3 |
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 |