Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 4/20 | 0.75 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.53 |
| ▸ | CASP3 | P42574 | 2/20 | 0.52 |
| ▸ | CASP7 | P55210 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 3/20 | 0.52 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.52 |
| ▸ | CASP9 | P55211 | 1/20 | 0.49 |
| ▸ | REN | P00797 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4349143 | 1.00 | CASP1 (0.75) | CASP1OPRD1CASP3CASP7BACE1 | |
| SCHEMBL7285000 | 0.92 | CASP1 (0.64) | CASP1CASP3CASP7BACE1BACE2 | |
| SCHEMBL8932759 | 0.91 | CASP1 (0.64) | CASP1OPRD1CASP3CASP7BACE1 | |
| SCHEMBL7197343 | 0.90 | CASP1 (0.65) | CASP1OPRD1CASP3CASP7BACE1 | |
| SCHEMBL29946109 | 0.88 | CASP1 (0.61) | CASP1OPRD1CASP3CASP7BACE1 | |
| SCHEMBL2037696 | 0.87 | CASP1 (0.62) | CASP1OPRD1CASP3CASP7BACE1 | |
| SCHEMBL30008729 | 0.87 | CASP1 (0.59) | CASP1OPRD1CASP3CASP7BACE1 | |
| SCHEMBL9241543 | 0.87 | CASP1 (0.67) | CASP1OPRD1CASP3CASP7BACE1 | |
| SCHEMBL27825824 | 0.87 | CASP1 (0.67) | CASP1OPRD1CASP3CASP7BACE1 | |
| SCHEMBL5686688 | 0.87 | CASP1 (0.65) | CASP1OPRD1CASP3CASP7BACE1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5278061-A | Affinity chromatography matrix useful in purifying interleukin-1β converting enzyme | MERCK & CO., INC. (US) | 1994-01-11 | — | — | US | 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 |
| US-5278061-A | Affinity chromatography matrix useful in purifying interleukin-1β converting enzyme | MERCK & CO., INC. (US) | 1994-01-11 | — | — | US | disclosed |
| EP-0533226-A2 | Novel chromophore containing compounds | MERCK & CO. INC. (US) | 1993-03-24 | — | — | EP | disclosed |
| EP-0529713-A1 | Affinity chromatography matrix useful in purifying interleukin-1B converting enzyme | MERCK & CO. INC. (US) | 1993-03-03 | — | — | EP | disclosed |
| EP-0528487-A2 | Novel chromophore containing compounds | MERCK & CO. INC. (US) | 1993-02-24 | — | — | EP | disclosed |
| EP-0519748-A2 | Peptidyl derivatives as inhibitors of interleukin-1B converting enzyme | MERCK & CO. INC. (US) | 1992-12-23 | — | — | EP | disclosed |