Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 5/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 4/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.32 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.32 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | BRAF | P15056 | 1/20 | 0.32 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | GRK2 | P25098 | 1/20 | 0.31 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.31 |
| ▸ | PLK1 | P53350 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4257712 | 0.99 | CDK2 (0.36) | CDK2PDPK1AURKACCNA2CCNA1 | |
| Hydrochloric Acid SCHEMBL1658167 | 0.92 | CDK2 (0.42) | CDK2PDPK1AURKACCNA2CCNA1 | |
| Hydrochloric Acid SCHEMBL1658063 | 0.91 | CDK2 (0.40) | CDK2PDPK1AURKACCNA2CCNA1 | |
| SCHEMBL6793189 | 0.89 | CDK2 (0.35) | CDK2PDPK1AURKACCNA2CCNA1 | |
| SCHEMBL6793304 | 0.88 | KDM4C (0.37) | CDK2AURKACCNA2CCNA1KDM4C | |
| Trifluoroacetic Acid SCHEMBL4270462 | 0.88 | CDK2 (0.41) | CDK2PDPK1AURKACCNA2CCNA1 | |
| SCHEMBL1659385 | 0.87 | CDK2 (0.34) | CDK2PDPK1AURKACCNA2CCNA1 | |
| Hydrochloric Acid SCHEMBL6793245 | 0.84 | CCNA2 (0.37) | CDK2CCNA2CCNA1NPSR1BRAF | |
| SCHEMBL6794493 | 0.84 | CDK2 (0.36) | CDK2PDPK1AURKACCNA2CCNA1 | |
| SCHEMBL6799797 | 0.84 | AAK1 (0.35) | CDK2PDPK1 |
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-2011041784-A1 | METHODS FOR DIAGNOSING AND TREATING CANCER | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2011-04-07 | — | — | WO | disclosed |