Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 5/20 | 0.40 |
| ▸ | CA1 | P00915 | 5/20 | 0.40 |
| ▸ | CA2 | P00918 | 5/20 | 0.40 |
| ▸ | CA9 | Q16790 | 5/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL2204669 | 0.83 | AURKB (0.55) | ALDH1A1AURKAAURKB | |
| SCHEMBL28021678 | 0.82 | ATM (0.45) | ALDH1A1KMT2AGLACA12CA1 | |
| SCHEMBL28021626 | 0.81 | ATM (0.46) | ALDH1A1KMT2ACA12CA1CA2 | |
| SCHEMBL28021591 | 0.79 | AURKB (0.51) | ALDH1A1KMT2AATMAURKAAURKB | |
| SCHEMBL2204784 | 0.72 | AURKB (0.60) | ALDH1A1AURKAAURKBMAPT | |
| SCHEMBL28022078 | 0.71 | PKM (0.44) | ALDH1A1KMT2ACA1CA2AURKA | |
| SCHEMBL12430844 | 0.70 | AURKB (0.70) | AURKAAURKB | |
| SCHEMBL28565368 | 0.70 | AURKB (0.44) | ALDH1A1KMT2ACA12CA1CA2 | |
| SCHEMBL28022116 | 0.70 | ADORA1 (0.47) | ALDH1A1KMT2AAURKAAURKBMAPT | |
| SCHEMBL28570313 | 0.70 | KMT2A (0.37) | ALDH1A1KMT2AAURKAMAPTTP53 |
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 |