Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 6/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.39 |
| ▸ | AKT2 | P31751 | 5/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.38 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 3/20 | 0.38 |
| ▸ | PRKACA | P17612 | 2/20 | 0.37 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.37 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.37 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.37 |
| ▸ | LATS1 | O95835 | 1/20 | 0.37 |
| ▸ | PRKACB | P22694 | 1/20 | 0.37 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.37 |
| ▸ | GRK2 | P25098 | 1/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.37 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.37 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.37 |
| ▸ | RPS6KA1 | Q15418 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL26613585 | 0.75 | KCNH2 (0.46) | ROCK2ROCK1AKT2NOS1AKT1 | |
| SCHEMBL29746235 | 0.75 | KCNH2 (0.46) | ROCK2ROCK1AKT2NOS1AKT1 | |
| SCHEMBL24802714 | 0.72 | TDP1 (0.44) | ROCK2ROCK1AKT2 | |
| SCHEMBL19398632 | 0.72 | AHR (0.50) | ROCK2ROCK1AKT2AKT1PRKACA | |
| SCHEMBL790083 | 0.70 | PTGS2 (0.51) | — | |
| SCHEMBL7262530 | 0.70 | PIK3CG (0.47) | PDE3A | |
| SCHEMBL21405437 | 0.69 | LRRK2 (0.47) | LRRK2ROCK2ROCK1AKT2AKT1 | |
| SCHEMBL16983118 | 0.69 | PDE3B (0.49) | LRRK2ROCK2ROCK1PDE3BPDE3A | |
| SCHEMBL790542 | 0.69 | SRC (0.49) | PIK3CA | |
| SCHEMBL509823 | 0.68 | LRRK2 (0.45) | LRRK2ROCK2ROCK1AKT2AKT1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012037108-A1 | AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS | GLAXOSMITHKLINE LLC (US) | 2012-03-22 | — | — | WO | disclosed |