Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.46 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.39 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28022078 | 0.84 | PKM (0.44) | AURKAAURKBALDH1A1KDM4EPAX8 | |
| SCHEMBL28557357 | 0.82 | AURKB (0.49) | AURKAAURKBALDH1A1KDM4EPKM | |
| SCHEMBL28022063 | 0.80 | SMN1; SMN2 (0.42) | AURKAAURKBALDH1A1KDM4EPOLB | |
| SCHEMBL28556178 | 0.80 | AURKA (0.39) | AURKAAURKBALDH1A1KDM4EPKM | |
| SCHEMBL28549342 | 0.79 | ACHE (0.48) | AURKAAURKBALDH1A1KDM4EPOLB | |
| SCHEMBL28021607 | 0.79 | SLC2A1 (0.44) | ALDH1A1KDM4ECYP2C19MAPT | |
| SCHEMBL2205314 | 0.78 | AURKA (0.73) | AURKAAURKBL3MBTL1APOBEC3AAPOBEC3G | |
| SCHEMBL28022056 | 0.78 | PIK3CA (0.46) | AURKAAURKBPOLBL3MBTL1MAPT | |
| SCHEMBL28022120 | 0.75 | MEN1 (0.39) | AURKAAURKBALDH1A1KDM4EPKM | |
| SCHEMBL28570362 | 0.75 | RET (0.43) | ALDH1A1MAPT |
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 |