Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 7/20 | 0.38 |
| ▸ | IL1B | P01584 | 2/20 | 0.36 |
| ▸ | LCK | P06239 | 11/20 | 0.35 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.35 |
| ▸ | MME | P08473 | 1/20 | 0.33 |
| ▸ | ACE | P12821 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL6627209 | 0.91 | CASP1 (0.42) | CASP1IL1BLCKADAM17MME | |
| SCHEMBL6627961 | 0.88 | CASP1 (0.39) | CASP1IL1BLCKADAM17MME | |
| SCHEMBL6629417 | 0.87 | CASP1 (0.41) | CASP1IL1BLCKADAM17MME | |
| SCHEMBL6627770 | 0.87 | CASP1 (0.41) | CASP1IL1BLCKADAM17MME | |
| SCHEMBL6628827 | 0.87 | LCK (0.45) | CASP1LCKMMEACE | |
| SCHEMBL6628832 | 0.87 | LCK (0.45) | CASP1LCKMMEACE | |
| SCHEMBL6676663 | 0.86 | CASP1 (0.43) | CASP1IL1BLCKMMEACE | |
| SCHEMBL6676416 | 0.83 | CASP1 (0.39) | CASP1IL1BLCKMMEACE | |
| SCHEMBL6629495 | 0.83 | ADAM17 (0.38) | CASP1IL1BLCKADAM17MME | |
| SCHEMBL6628836 | 0.81 | CASP1 (0.43) | CASP1IL1BLCKADAM17MME |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1246824-B1 | CARBOXAMIDE DIAZEPIN DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES, PHARMACEUTICAL COMPOSITIONS AND USE THEREOF | AVENTIS PHARMA SA (FR) | 2004-06-09 | — | — | EP | claimed |