Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | AURKA | O14965 | 3/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.42 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.42 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MOK | Q9UQ07 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28021591 | 0.88 | AURKB (0.51) | AURKBMAPTKDM4EMEN1KMT2A | |
| SCHEMBL2205762 | 0.83 | AURKB (0.69) | AURKBMAPTKDM4EMEN1KMT2A | |
| SCHEMBL28553059 | 0.82 | ADORA1 (0.45) | AURKBMAPTMEN1KMT2AAURKA | |
| SCHEMBL28562449 | 0.82 | BPTF (0.38) | MAPTKMT2AALDH1A1ADORA3ADORA2A | |
| SCHEMBL28022116 | 0.79 | ADORA1 (0.47) | AURKBMAPTKDM4EMEN1KMT2A | |
| SCHEMBL28749235 | 0.79 | ADORA3 (0.47) | AURKBMAPTKDM4EMEN1KMT2A | |
| SCHEMBL28565368 | 0.79 | AURKB (0.44) | AURKBMAPTKDM4EMEN1KMT2A | |
| SCHEMBL28552772 | 0.79 | SDHB (0.41) | MAPTKDM4EKMT2AALDH1A1HPGD | |
| SCHEMBL28557357 | 0.78 | AURKB (0.49) | AURKBMAPTKDM4EMEN1KMT2A | |
| SCHEMBL28548957 | 0.76 | ADORA1 (0.44) | AURKBMAPTKDM4EMEN1KMT2A |
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 |