Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LRRK2 | Q5S007 | 10/20 | 0.56 |
| ▸ | AURKA | O14965 | 1/20 | 0.50 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.50 |
| ▸ | PLK1 | P53350 | 7/20 | 0.47 |
| ▸ | PLK3 | Q9H4B4 | 4/20 | 0.47 |
| ▸ | PLK2 | Q9NYY3 | 4/20 | 0.47 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.46 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.46 |
| ▸ | PRKCG | P05129 | 1/20 | 0.46 |
| ▸ | CLK2 | P49760 | 1/20 | 0.46 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.46 |
| ▸ | NEK4 | P51957 | 1/20 | 0.46 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.46 |
| ▸ | CAMK2G | Q13555 | 1/20 | 0.46 |
| ▸ | CAMK2D | Q13557 | 1/20 | 0.46 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.46 |
| ▸ | PRKD2 | Q9BZL6 | 1/20 | 0.46 |
| ▸ | CSNK1G1 | Q9HCP0 | 1/20 | 0.46 |
| ▸ | CSNK1G3 | Q9Y6M4 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL13191063 | 0.91 | LRRK2 (0.55) | LRRK2AURKAAURKBCLK2 | |
| SCHEMBL12826701 | 0.90 | LRRK2 (0.60) | LRRK2PTK2ALK | |
| SCHEMBL12826862 | 0.90 | LRRK2 (0.56) | LRRK2AURKAAURKBPLK1PLK3 | |
| SCHEMBL13191066 | 0.90 | PLK1 (0.55) | LRRK2AURKAAURKBPLK1PLK3 | |
| SCHEMBL12826845 | 0.89 | LRRK2 (0.62) | LRRK2PTK2ALK | |
| SCHEMBL13191440 | 0.87 | LRRK2 (0.57) | LRRK2AURKAAURKBPTK2 | |
| SCHEMBL13191065 | 0.86 | AURKA (0.56) | LRRK2AURKAAURKBPLK1PLK3 | |
| SCHEMBL12826576 | 0.82 | LRRK2 (0.61) | LRRK2AURKAAURKBPTK2 | |
| SCHEMBL12826700 | 0.82 | LRRK2 (0.57) | LRRK2AURKAAURKBALK | |
| SCHEMBL12826446 | 0.81 | PLK1 (0.56) | LRRK2AURKAAURKBPLK1PLK3 |
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-2010106097-A1 | SUBSTITUTED PYRIMIDINES FOR THE TREATMENT OF CANCER | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-09-23 | — | — | WO | disclosed |