Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAAA | Q02083 | 13/20 | 0.47 |
| ▸ | XIAP | P98170 | 2/20 | 0.43 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.42 |
| ▸ | ASAH1 | Q13510 | 2/20 | 0.41 |
| ▸ | PYGL | P06737 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | SCN9A | Q15858 | 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 | |
|---|---|---|---|---|
| SCHEMBL10263272 | 0.87 | SCN9A (0.46) | NAAAXIAPSCN9A | |
| SCHEMBL645568 | 0.83 | SCN9A (0.51) | XIAPSCN9A | |
| SCHEMBL645694 | 0.83 | SCN9A (0.51) | XIAPSCN9A | |
| SCHEMBL13139827 | 0.83 | XIAP (0.47) | XIAPOPRL1PYGLLMNASCN9A | |
| SCHEMBL648535 | 0.81 | XIAP (0.48) | XIAPPYGL | |
| SCHEMBL10248596 | 0.80 | XIAP (0.43) | XIAPOPRL1PYGLLMNASCN9A | |
| SCHEMBL14370029 | 0.78 | XIAP (0.42) | XIAPOPRL1PYGLLMNASCN9A | |
| SCHEMBL645689 | 0.78 | RIPK1 (0.44) | XIAPPYGL | |
| SCHEMBL645690 | 0.78 | RIPK1 (0.44) | XIAPPYGL | |
| SCHEMBL14370027 | 0.77 | XIAP (0.42) | XIAPOPRL1PYGLLMNA |
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-2131657-A1 | SUBSTITUTED BENZODIAZEPINONES, BENZOXAZEPINONES AND BENZOTHIAZEPINONES AS SODIUM CHANNEL BLOCKERS | Merck & Co., Inc. (US) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008106077-A1 | SUBSTITUTED BENZODIAZEPINONES, BENZOXAZEPINONES AND BENZOTHIAZEPINONES AS SODIUM CHANNEL BLOCKERS | MERCK & CO., INC. (US) | 2008-09-04 | — | — | WO | disclosed |