Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 2/20 | 0.47 |
| ▸ | KCNB1 | Q14721 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | MMP13 | P45452 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | PPARG | P37231 | 1/20 | 0.36 |
| ▸ | PPARD | Q03181 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2715396 | 0.94 | SCN9A (0.48) | SCN9AKCNB1RIPK1ROCK2ROCK1 | |
| SCHEMBL18266320 | 0.88 | ADORA3 (0.39) | SCN9ARIPK1ROCK2ROCK1MMP13 | |
| SCHEMBL18266538 | 0.87 | KCNB1 (0.50) | SCN9AKCNB1RIPK1ROCK2ROCK1 | |
| SCHEMBL2713199 | 0.86 | SCN9A (0.48) | SCN9AKCNB1RIPK1ROCK2CHRM4 | |
| SCHEMBL18266345 | 0.86 | SCN9A (0.48) | SCN9ARIPK1PPARGPPARDPPARA | |
| SCHEMBL2714077 | 0.85 | SCN9A (0.50) | SCN9AMMP13HSD17B10PPARDPPARA | |
| SCHEMBL2714516 | 0.84 | SCN9A (0.49) | SCN9AKCNB1RIPK1ROCK2EPHX2 | |
| SCHEMBL18266341 | 0.84 | SCN9A (0.47) | SCN9AKCNB1RIPK1MAPTGSK3B | |
| SCHEMBL18266426 | 0.83 | SCN9A (0.49) | SCN9AKCNB1ROCK2ROCK1MAPT | |
| SCHEMBL2714499 | 0.83 | RIPK1 (0.51) | RIPK1ADORA3 |
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-2630122-B1 | ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS | RAQUALIA PHARMA INC (JP) | 2016-11-30 | — | — | EP | disclosed |