Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.64 |
| ▸ | MAOB | P27338 | 6/20 | 0.57 |
| ▸ | MAOA | P21397 | 3/20 | 0.57 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.50 |
| ▸ | HRH1 | P35367 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL16892159 | 0.84 | MAOB (0.50) | SCN9AMAOBMAOAHRH3HRH1 | |
| SCHEMBL16892223 | 0.84 | SCN9A (0.48) | SCN9AMAOBMAOAHRH3HRH1 | |
| SCHEMBL16892163 | 0.80 | MAOB (0.57) | SCN9AMAOBMAOAHRH3 | |
| SCHEMBL16892178 | 0.78 | MAOB (0.51) | SCN9AMAOBMAOA | |
| Ralfinamide SCHEMBL67328 | 0.78 | SCN9A (1.00) | SCN9AMAOBMAOAHRH3 | |
| Ralfinamide SCHEMBL962699 | 0.78 | SCN9A (1.00) | SCN9AMAOBMAOAHRH3 | |
| SCHEMBL2187391 | 0.78 | SCN9A (0.75) | SCN9AMAOBMAOAHRH3 | |
| Ralfinamide SCHEMBL67329 | 0.78 | SCN9A (1.00) | SCN9AMAOBMAOAHRH3 | |
| SCHEMBL2186343 | 0.78 | SCN9A (0.75) | SCN9AMAOBMAOAHRH3 | |
| SCHEMBL966440 | 0.78 | SCN9A (0.75) | SCN9AMAOBMAOAHRH3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015101294-A1 | COMPOUNDS WITH ANALGESIC ACTIVITY AND MEDICAL USE THEREOF | 中国人民解放军军事医学科学院毒物药物研究所 | 2015-07-09 | — | — | WO | disclosed |