Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.41 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.41 |
| ▸ | PRKACA | P17612 | 3/20 | 0.41 |
| ▸ | GSK3A | P49840 | 3/20 | 0.41 |
| ▸ | GSK3B | P49841 | 3/20 | 0.41 |
| ▸ | PRKX | P51817 | 3/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.41 |
| ▸ | PRKCQ | Q04759 | 2/20 | 0.41 |
| ▸ | PRKG1 | Q13976 | 3/20 | 0.40 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | PRKCG | P05129 | 1/20 | 0.39 |
| ▸ | CDK1 | P06493 | 1/20 | 0.39 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | MARK3 | P27448 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6496765 | 1.00 | GAA (0.43) | GAAROCK2ROCK1CYP3A4CYP2C9 | |
| SCHEMBL6203487 | 0.95 | GAA (0.43) | GAAROCK2ROCK1CYP3A4CYP2C9 | |
| SCHEMBL6203493 | 0.95 | GAA (0.43) | GAAROCK2ROCK1CYP3A4CYP2C9 | |
| SCHEMBL6203492 | 0.95 | GAA (0.43) | GAAROCK2ROCK1CYP3A4CYP2C9 | |
| SCHEMBL6201437 | 0.92 | ROCK1 (0.42) | GAAROCK2ROCK1CYP3A4CYP2C9 | |
| SCHEMBL6499827 | 0.92 | ROCK1 (0.42) | GAAROCK2ROCK1CYP3A4CYP2C9 | |
| SCHEMBL6499821 | 0.92 | ROCK1 (0.42) | GAAROCK2ROCK1CYP3A4CYP2C9 | |
| SCHEMBL6499819 | 0.92 | ROCK1 (0.42) | GAAROCK2ROCK1CYP3A4CYP2C9 | |
| SCHEMBL6502173 | 0.91 | GAA (0.42) | GAAROCK2ROCK1CYP3A4CYP2C9 | |
| SCHEMBL6502171 | 0.91 | GAA (0.42) | GAAROCK2ROCK1CYP3A4CYP2C9 |
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-6900210-B2 | Pyridinyl, pyrimidinyl and pyrazinyl amides as potassium channel openers | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-05-31 | — | — | US | disclosed |