Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.58 |
| ▸ | CASP3 | P42574 | 4/20 | 0.55 |
| ▸ | BACE1 | P56817 | 3/20 | 0.55 |
| ▸ | BACE2 | Q9Y5Z0 | 3/20 | 0.55 |
| ▸ | CASP6 | P55212 | 1/20 | 0.55 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.55 |
| ▸ | OPRD1 | P41143 | 3/20 | 0.52 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | 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 | |
|---|---|---|---|---|
| SCHEMBL18087495 | 0.86 | CASP1 (0.63) | CASP1CASP3BACE1BACE2OPRD1 | |
| SCHEMBL24310825 | 0.86 | CASP1 (0.63) | CASP1CASP3BACE1BACE2OPRD1 | |
| SCHEMBL19970821 | 0.86 | CASP1 (0.63) | CASP1CASP3BACE1BACE2OPRD1 | |
| SCHEMBL29932500 | 0.86 | CASP1 (0.63) | CASP1CASP3BACE1BACE2OPRD1 | |
| SCHEMBL14369991 | 0.85 | CASP1 (0.54) | CASP1CASP3BACE1BACE2CASP6 | |
| SCHEMBL12522504 | 0.85 | CASP1 (0.54) | CASP1CASP3BACE1BACE2CASP6 | |
| SCHEMBL949558 | 0.85 | CASP1 (0.54) | CASP1CASP3BACE1BACE2CASP6 | |
| SCHEMBL9241543 | 0.85 | CASP1 (0.67) | CASP1CASP3BACE1BACE2OPRD1 | |
| SCHEMBL27825824 | 0.85 | CASP1 (0.67) | CASP1CASP3BACE1BACE2OPRD1 | |
| SCHEMBL7277216 | 0.84 | BACE1 (0.58) | CASP1CASP3BACE1BACE2OPRD1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5866545-A | ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS; UROGENITAL DISORDERS | MERCK & CO., INC. (US) | 1999-02-02 | — | — | US | claimed |
| US-5866545-A | ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; GASTROINTESTINAL DISORDERS; UROGENITAL DISORDERS | MERCK & CO., INC. (US) | 1999-02-02 | — | — | US | disclosed |
| WO-1995005192-A1 | SUBSTITUTED KETONE DERIVATIVES AS INHIBITORS OF INTERLEUKIN-1β CONVERTING ENZYME | MERCK & CO., INC. (US) | 1995-02-23 | — | — | WO | disclosed |