Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 1/20 | 0.55 |
| ▸ | CCNC | P24863 | 3/20 | 0.54 |
| ▸ | CDK8 | P49336 | 3/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 1/20 | 0.44 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.44 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | TYRO3 | Q06418 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4789868 | 0.88 | CCNC (0.54) | SCN9ACCNCCDK8TP53MAPT | |
| SCHEMBL2851890 | 0.81 | ALDH1A1 (0.61) | SCN9ATP53CHEK1RETPDGFRB | |
| SCHEMBL13710565 | 0.80 | SCN9A (0.68) | SCN9ATP53SMN1; SMN2MAPTCHEK1 | |
| SCHEMBL2789578 | 0.80 | TP53 (0.74) | SCN9ATP53MAPTCHEK1RET | |
| SCHEMBL2851298 | 0.79 | SCN9A (0.54) | SCN9ATP53SMN1; SMN2MAPTCHEK1 | |
| SCHEMBL18726294 | 0.79 | SCN9A (0.57) | SCN9ATP53SMN1; SMN2MAPTCHEK1 | |
| SCHEMBL18726283 | 0.79 | SCN9A (0.54) | SCN9ATP53SMN1; SMN2MAPTCHEK1 | |
| SCHEMBL29444426 | 0.79 | SCN9A (0.57) | SCN9ATP53SMN1; SMN2MAPTCHEK1 | |
| SCHEMBL29444419 | 0.76 | SCN9A (0.51) | SCN9ATP53SMN1; SMN2MAPTCHEK1 | |
| SCHEMBL11982068 | 0.76 | MAPT (0.76) | SCN9ATP53SMN1; SMN2MAPTGAA |
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 |
|---|---|---|---|---|---|---|---|
| US-7589116-B2 | Biaryl substituted pyrazoles as sodium channel blockers | MERCK & CO. INC. (US) | 2009-09-15 | — | — | US | disclosed |
| US-7589116-B2 | Biaryl substituted pyrazoles as sodium channel blockers | MERCK & CO. INC. (US) | 2009-09-15 | — | — | US | disclosed |