Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRD1 | P41143 | 5/20 | 0.49 |
| ▸ | CASP1 | P29466 | 3/20 | 0.42 |
| ▸ | BACE1 | P56817 | 6/20 | 0.42 |
| ▸ | BACE2 | Q9Y5Z0 | 4/20 | 0.42 |
| ▸ | CASP3 | P42574 | 2/20 | 0.40 |
| ▸ | CASP9 | P55211 | 2/20 | 0.40 |
| ▸ | CASP4 | P49662 | 1/20 | 0.38 |
| ▸ | CASP5 | P51878 | 1/20 | 0.38 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.38 |
| ▸ | CASP10 | Q92851 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5686700 | 0.87 | OPRD1 (0.50) | OPRD1CASP1BACE1BACE2 | |
| SCHEMBL5686640 | 0.83 | OPRD1 (0.43) | OPRD1CASP1BACE1BACE2CASP3 | |
| SCHEMBL5687724 | 0.82 | OPRD1 (0.48) | OPRD1CASP1BACE1BACE2 | |
| SCHEMBL29351277 | 0.81 | OPRD1 (0.54) | OPRD1BACE1BACE2 | |
| SCHEMBL5686954 | 0.80 | CTSD (0.44) | OPRD1BACE1BACE2 | |
| SCHEMBL5688620 | 0.80 | OPRD1 (0.43) | OPRD1CASP1 | |
| SCHEMBL5686852 | 0.80 | OPRD1 (0.43) | OPRD1CASP1 | |
| SCHEMBL5687048 | 0.79 | OPRD1 (0.48) | OPRD1CASP1BACE1BACE2 | |
| SCHEMBL5689707 | 0.79 | NPY4R (0.44) | OPRD1BACE1BACE2 | |
| SCHEMBL5686933 | 0.78 | OPRD1 (0.41) | OPRD1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0979241-B1 | (3R)-3-AMINO-4-CARBOXYBUTYRALDEHYDE DERIVATIVES INHIBITING THE RELEASE OF INTERLEUKIN-1/BETA | IVAX DRUG RES INST LTD (HU) | 2006-03-01 | — | — | EP | disclosed |
| US-6593300-B1 | Inhibitors of the interleukin-1 beta converting enzyme | GYOGYSZERKUTATO INTEZET KFT. (HU) | 2003-07-15 | — | — | US | disclosed |