Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.38 |
| ▸ | MELK | Q14680 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7656532 | 0.82 | ROCK2 (0.43) | ROCK2 | |
| SCHEMBL7993332 | 0.78 | ROCK2 (0.45) | ROCK2CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL7656595 | 0.77 | ROCK2 (0.39) | ROCK2 | |
| SCHEMBL6295077 | 0.77 | ROCK2 (0.58) | ROCK2CYP3A4 | |
| Hydrochloric Acid SCHEMBL6299497 | 0.76 | ROCK2 (0.57) | ROCK2CYP3A4 | |
| SCHEMBL7659472 | 0.76 | ROCK2 (0.43) | ROCK2CYP3A4NPC1ALDH1A1MAPT | |
| SCHEMBL7659693 | 0.75 | MEN1 (0.44) | CYP3A4CYP2C19NPC1ALDH1A1MAPT | |
| SCHEMBL7658184 | 0.75 | RORC (0.49) | ROCK2NPC1ALDH1A1MAPTRAB9A | |
| SCHEMBL7656812 | 0.75 | CYP26A1 (0.38) | ROCK2CYP3A4CYP2C19NPC1ALDH1A1 | |
| SCHEMBL7658566 | 0.72 | MAPT (0.58) | CYP3A4CYP2C19NPC1ALDH1A1MAPT |
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-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | claimed |
| US-6492378-B1 | Substituted isoquinoline derivatives and their use as anticonvulsivants | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-12-10 | — | — | US | disclosed |