Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 18/20 | 0.49 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL4760318 | 1.00 | NR1H4 (0.49) | NR1H4PARP1KCNH2 | |
| SCHEMBL4758930 | 0.93 | NR1H4 (0.47) | NR1H4 | |
| SCHEMBL4515829 | 0.90 | NR1H4 (0.63) | NR1H4KCNH2 | |
| SCHEMBL4515825 | 0.90 | NR1H4 (0.63) | NR1H4KCNH2 | |
| SCHEMBL4523016 | 0.90 | NR1H4 (0.63) | NR1H4KCNH2 | |
| SCHEMBL4523021 | 0.85 | PARP1 (0.44) | NR1H4PARP1KCNH2 | |
| SCHEMBL4532574 | 0.85 | PARP1 (0.44) | NR1H4PARP1KCNH2 | |
| SCHEMBL4514018 | 0.82 | NR1H4 (0.62) | NR1H4 | |
| SCHEMBL4527937 | 0.82 | NR1H4 (0.62) | NR1H4 | |
| SCHEMBL4514021 | 0.77 | NR1H4 (0.40) | NR1H4PARP1 |
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-1963331-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | Exelixis, Inc. (US) | 2008-09-03 | — | — | EP | disclosed |
| WO-2007070796-A1 | AZEPINOINDOLE DERIVATIVES AS PHARMACEUTICAL AGENTS | EXELIXIS, INC. (US) | 2007-06-21 | — | — | WO | disclosed |