Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 12/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.34 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.34 |
| ▸ | CDK2 | P24941 | 9/20 | 0.34 |
| ▸ | KDR | P35968 | 9/20 | 0.34 |
| ▸ | ATF1 | P18846 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 1/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.32 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.31 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.31 |
| ▸ | RXRA | P19793 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.31 |
| ▸ | CDK4 | P11802 | 2/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9930106 | 0.88 | CDK1 (0.35) | CDK1CDK2KDRAURKAAURKB | |
| SCHEMBL5021096 | 0.79 | CDK1 (0.34) | CDK1CDK2KDRATF1NFKB1 | |
| SCHEMBL2148887 | 0.78 | CDK1 (0.54) | CDK1CDK2KDRATF1NFKB1 | |
| SCHEMBL2015792 | 0.77 | AURKA (0.48) | KDRATF1NFKB1AURKAAURKB | |
| SCHEMBL2524636 | 0.74 | CDK1 (0.49) | CDK1CDK2KDRCCNB1 | |
| SCHEMBL9192993 | 0.72 | AURKA (0.32) | KDRATF1NFKB1AURKAAURKB | |
| SCHEMBL18338730 | 0.72 | PIN1 (0.56) | CDK1CDK2ATF1NFKB1RXRA | |
| SCHEMBL20565236 | 0.71 | AR (0.43) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL875790 | 0.69 | PIN1 (0.41) | CDK1CDK2KDRATF1NFKB1 | |
| SCHEMBL1936959 | 0.69 | KDM4E (0.39) | CDK1CDK2KDRKDM4ELRRK2 |
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-2012062783-A1 | PYRAZOLE AMINOPYRIMIDINE DERIVATIVES AS LRRK2 MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2012-05-18 | — | — | WO | disclosed |