Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 17/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 6/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.43 |
| ▸ | IGF1R | P08069 | 1/20 | 0.43 |
| ▸ | PLK4 | O00444 | 2/20 | 0.42 |
| ▸ | ABL1 | P00519 | 2/20 | 0.42 |
| ▸ | LCK | P06239 | 2/20 | 0.42 |
| ▸ | CSF1R | P07333 | 2/20 | 0.42 |
| ▸ | RET | P07949 | 2/20 | 0.42 |
| ▸ | KIT | P10721 | 2/20 | 0.42 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.42 |
| ▸ | SRC | P12931 | 2/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.42 |
| ▸ | TYK2 | P29597 | 2/20 | 0.42 |
| ▸ | KDR | P35968 | 2/20 | 0.42 |
| ▸ | FLT3 | P36888 | 2/20 | 0.42 |
| ▸ | PTK2 | Q05397 | 2/20 | 0.42 |
| ▸ | MAP4K5 | Q9Y4K4 | 2/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL2205962 | 0.88 | AURKA (0.44) | AURKAAURKBIGF1RJAK2JAK3 | |
| SCHEMBL28021594 | 0.84 | HRH4 (0.48) | AURKAAURKBNTRK1IGF1RPLK4 | |
| SCHEMBL28565380 | 0.81 | HRH4 (0.51) | AURKAAURKBEGFRNTRK1RET | |
| SCHEMBL28022117 | 0.81 | HRH4 (0.52) | AURKAAURKBEGFRNTRK1KDR | |
| SCHEMBL2201772 | 0.80 | AURKA (0.52) | AURKAAURKBEGFRNTRK1IGF1R | |
| SCHEMBL28557378 | 0.79 | HRH4 (0.48) | AURKA | |
| SCHEMBL2712009 | 0.78 | AURKA (0.59) | AURKAAURKBEGFRNTRK1IGF1R | |
| SCHEMBL63682 | 0.77 | AURKA (0.46) | AURKAAURKBIGF1RPLK4ABL1 | |
| SCHEMBL2712007 | 0.77 | AURKA (0.59) | AURKAAURKBEGFRNTRK1IGF1R | |
| SCHEMBL2713050 | 0.76 | AURKA (0.57) | AURKAAURKBEGFRNTRK1IGF1R |
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 2 patents. 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 |
| CN-104797267-A | Method of treating tyrosine kinase inhibitor-resistant malignancies in patients with genetic polymorphism or AHI1 dysregulation or mutation using dianhydrogalactitol, diacetyldianhydrogalactitol, dibromodulcitol, or analogs or derivatives thereof | DEL MAR PHARMACEUTICALS | 2015-07-22 | — | — | CN | disclosed |