Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 6/20 | 0.41 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.41 |
| ▸ | GSK3B | P49841 | 6/20 | 0.41 |
| ▸ | KDR | P35968 | 6/20 | 0.41 |
| ▸ | CDK5 | Q00535 | 6/20 | 0.41 |
| ▸ | DCLK1 | O15075 | 5/20 | 0.41 |
| ▸ | SYK | P43405 | 5/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 5/20 | 0.41 |
| ▸ | LCK | P06239 | 5/20 | 0.41 |
| ▸ | CDK1 | P06493 | 5/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 5/20 | 0.41 |
| ▸ | CDK2 | P24941 | 5/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 5/20 | 0.41 |
| ▸ | GSK3A | P49840 | 5/20 | 0.41 |
| ▸ | NTRK2 | Q16620 | 5/20 | 0.41 |
| ▸ | TAOK1 | Q7L7X3 | 5/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 4/20 | 0.41 |
| ▸ | JAK2 | O60674 | 4/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4417446 | 0.92 | AURKA (0.40) | AURKAAURKBGSK3BKDRCDK5 | |
| SCHEMBL4414503 | 0.88 | RIPK2 (0.49) | AURKAAURKBGSK3BKDRCDK5 | |
| SCHEMBL4414385 | 0.88 | CYP2C19 (0.41) | AURKAAURKBGSK3BKDRCDK5 | |
| SCHEMBL4413220 | 0.87 | CDK1 (0.40) | AURKAAURKBGSK3BKDRCDK5 | |
| SCHEMBL28562488 | 0.85 | RIPK2 (0.47) | FGFR1SRCEGFRRIPK2ACVR1 | |
| SCHEMBL4417439 | 0.85 | AURKA (0.39) | AURKAAURKBGSK3BKDRCDK5 | |
| SCHEMBL14600274 | 0.84 | GSK3B (0.48) | AURKAGSK3BCDK2GSK3AIGF1R | |
| SCHEMBL4414392 | 0.84 | RIPK2 (0.41) | AURKAAURKBGSK3BKDRCDK5 | |
| SCHEMBL4414705 | 0.84 | SYK (0.46) | AURKAAURKBGSK3BKDRCDK5 | |
| SCHEMBL4413379 | 0.82 | PTK2 (0.44) | GSK3BKDRMAP4K4CDK1CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112755193-A | Method of treating malignancies with anti-tyrosine kinase inhibitors using dianhydrogalactitol or a derivative thereof | 德玛医药 | 2021-05-07 | — | — | CN | disclosed |