Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 7/20 | 0.57 |
| ▸ | KDR | P35968 | 7/20 | 0.57 |
| ▸ | TLK2 | Q86UE8 | 2/20 | 0.42 |
| ▸ | MAP3K9 | P80192 | 2/20 | 0.41 |
| ▸ | MAP3K11 | Q16584 | 2/20 | 0.41 |
| ▸ | CDK2 | P24941 | 5/20 | 0.38 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | FLT4 | P35916 | 1/20 | 0.36 |
| ▸ | MAP3K10 | Q02779 | 1/20 | 0.36 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.36 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.34 |
| ▸ | GCK | P35557 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL3840660 | 0.81 | KDR (0.62) | AURKAKDRMAP3K9MAP3K11CDK1 | |
| SCHEMBL3836059 | 0.80 | AURKA (0.54) | AURKAKDRCDK2 | |
| SCHEMBL3835796 | 0.75 | MAP3K9 (0.38) | AURKAKDRMAP3K9MAP3K11NTRK1 | |
| SCHEMBL5328900 | 0.73 | AURKA (1.00) | AURKAKDRMAP3K9MAP3K11CDK2 | |
| SCHEMBL20992951 | 0.72 | CLK4 (0.47) | KDRTLK2MAP3K9MAP3K11NTRK1 | |
| SCHEMBL20992953 | 0.72 | MAP3K9 (0.47) | TLK2MAP3K9MAP3K11NTRK1FYN | |
| Hydrochloric Acid SCHEMBL3837341 | 0.71 | AURKA (0.56) | AURKAKDRCDK2CDK1CA12 | |
| SCHEMBL12469307 | 0.69 | AURKA (0.37) | AURKAKDRMAP3K9MAP3K11NTRK1 | |
| SCHEMBL20992950 | 0.66 | AURKA (0.46) | AURKAKDRMAP3K9MAP3K11PIK3CA | |
| SCHEMBL5329803 | 0.64 | KDR (0.77) | AURKAKDRCDK1CA12CA9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2108642-A1 | JAK INHIBITOR | Kyowa Hakko Kirin Co., Ltd. (JP) | 2009-10-14 | — | — | EP | disclosed |