Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | JAK1 | P23458 | 5/20 | 0.34 |
| ▸ | TYK2 | P29597 | 2/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 3/20 | 0.33 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.33 |
| ▸ | WNT1 | P04628 | 1/20 | 0.32 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | AURKA | O14965 | 2/20 | 0.32 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.32 |
| ▸ | CDK1 | P06493 | 1/20 | 0.32 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.32 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.31 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| SCHEMBL12027127 | 0.89 | ADORA3 (0.35) | KDM4EHSD17B10MCHR1 | |
| SCHEMBL14311682 | 0.87 | AURKA (0.43) | KDM4EHSD17B10JAK1TYK2MCHR1 | |
| SCHEMBL8299906 | 0.82 | TSHR (0.37) | — | |
| SCHEMBL8302364 | 0.82 | HIF1A (0.47) | MCHR1CDK2AURKAAURKBCDK1 | |
| SCHEMBL8299908 | 0.82 | MCHR1 (0.32) | MCHR1PDPK1CDK2AURKAAURKB | |
| SCHEMBL8305595 | 0.81 | PARP1 (0.34) | MCHR1CDK2AURKAAURKBCDK1 | |
| SCHEMBL8305625 | 0.80 | GAA (0.40) | — | |
| SCHEMBL8299878 | 0.80 | NPC1 (0.42) | KDM4EMCHR1CDK2AURKAAURKB | |
| SCHEMBL8299909 | 0.80 | MCHR1 (0.42) | KDM4EMCHR1CDK2AURKAAURKB | |
| SCHEMBL14313744 | 0.80 | — | — |
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-2005002552-A2 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2005-01-13 | — | — | WO | disclosed |