Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.40 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.39 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.38 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.38 |
| ▸ | RARA | P10276 | 3/20 | 0.38 |
| ▸ | RARB | P10826 | 3/20 | 0.38 |
| ▸ | RARG | P13631 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL7662369 | 0.93 | ROCK2 (0.49) | ROCK2ALDH1A1NPC1RAB9ATP53 | |
| SCHEMBL7661417 | 0.92 | ROCK2 (0.44) | ROCK2ALDH1A1NPC1RAB9ATP53 | |
| SCHEMBL7658055 | 0.90 | MAPT (0.45) | ROCK2NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL7655617 | 0.89 | ROCK2 (0.42) | ROCK2ALDH1A1NPC1RAB9ATP53 | |
| SCHEMBL7653708 | 0.88 | ROCK2 (0.40) | ROCK2NPC1RAB9ATP53SMN1; SMN2 | |
| SCHEMBL7649761 | 0.87 | MAPT (0.46) | ROCK2ALDH1A1NPC1RAB9ATP53 | |
| SCHEMBL7993309 | 0.87 | ROCK2 (0.52) | ROCK2ALDH1A1NPC1RAB9ATP53 | |
| SCHEMBL7652080 | 0.84 | DDR1 (0.43) | ROCK2ALDH1A1NPC1RAB9ATP53 | |
| SCHEMBL7655775 | 0.84 | ROCK2 (0.46) | ROCK2ALDH1A1NPC1RAB9ATP53 | |
| Hydrochloric Acid SCHEMBL7657621 | 0.83 | DDR1 (0.42) | ROCK2ALDH1A1NPC1RAB9ATP53 |
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 |
|---|---|---|---|---|---|---|---|
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |