Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.54 |
| ▸ | BACE1 | P56817 | 3/20 | 0.52 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.52 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.51 |
| ▸ | CASP3 | P42574 | 3/20 | 0.45 |
| ▸ | CASP7 | P55210 | 1/20 | 0.45 |
| ▸ | CASP6 | P55212 | 2/20 | 0.43 |
| ▸ | CASP8 | Q14790 | 2/20 | 0.43 |
| ▸ | REN | P00797 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12946447 | 1.00 | CASP1 (0.54) | CASP1BACE1BACE2OPRD1CASP3 | |
| SCHEMBL949276 | 1.00 | CASP1 (0.54) | CASP1BACE1BACE2OPRD1CASP3 | |
| SCHEMBL949558 | 0.91 | CASP1 (0.54) | CASP1BACE1BACE2OPRD1CASP3 | |
| SCHEMBL12522504 | 0.91 | CASP1 (0.54) | CASP1BACE1BACE2OPRD1CASP3 | |
| SCHEMBL14369991 | 0.91 | CASP1 (0.54) | CASP1BACE1BACE2OPRD1CASP3 | |
| SCHEMBL13202010 | 0.90 | CASP1 (0.48) | CASP1BACE1BACE2OPRD1CASP3 | |
| SCHEMBL7328489 | 0.84 | CASP1 (0.58) | CASP1BACE1BACE2OPRD1CASP3 | |
| SCHEMBL24310825 | 0.84 | CASP1 (0.63) | CASP1BACE1BACE2OPRD1CASP3 | |
| SCHEMBL18087495 | 0.84 | CASP1 (0.63) | CASP1BACE1BACE2OPRD1CASP3 | |
| SCHEMBL19970821 | 0.84 | CASP1 (0.63) | CASP1BACE1BACE2OPRD1CASP3 |
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 |
|---|---|---|---|---|---|---|---|
| US-5973111-A | NOVEL COMPOUNDS THAT ARE CAPABLE OF BINDING TO THE ACTIVE SITE OF INTERLEUKIN-1B-CONVERTING ENZYME (ICE) AND INHIBITING ACTIVITY OF THAT ENZYME; ADMINISTERING TO TREAT INFLAMMATORY, AUTOIMMUNE, AND NEURODEGENERATIVE DISEASES | VERTEX PHARMACEUTICALS, INC. (US) | 1999-10-26 | — | — | US | disclosed |
| US-5847135-A | Inhibitors of interleukin-1β converting enzyme | VERTEX PHARMACEUTICALS, INCORPORATED (US) | 1998-12-08 | — | — | US | disclosed |
| US-5716929-A | THERAPY FOR INFLAMMATION, AUTOIMMUNE DISEASES | VERTEX PHARMACEUTICALS, INC. (US) | 1998-02-10 | — | — | US | disclosed |
| US-5656627-A | USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE AND NEURODEGENERATIVE DISEASES | VERTEX PHARMACEUTICALS, INC. (US) | 1997-08-12 | — | — | US | disclosed |