Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 7/20 | 0.40 |
| ▸ | AURKA | O14965 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | AURKC | Q9UQB9 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 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 | 0.91 | AURKB (0.51) | AURKBMAPTAURKAKDM4EALDH1A1 | |
| SCHEMBL28022116 | 0.88 | ADORA1 (0.47) | AURKBMAPTAURKAKDM4EALDH1A1 | |
| SCHEMBL28557357 | 0.88 | AURKB (0.49) | AURKBMAPTAURKAKDM4EALDH1A1 | |
| SCHEMBL28548957 | 0.85 | ADORA1 (0.44) | AURKBMAPTAURKAKDM4EALDH1A1 | |
| SCHEMBL28553059 | 0.84 | ADORA1 (0.45) | AURKBMAPTAURKAMEN1KMT2A | |
| SCHEMBL28549341 | 0.83 | ALDH1A1 (0.45) | AURKBMAPTKDM4EALDH1A1MEN1 | |
| SCHEMBL2203979 | 0.82 | AURKB (0.65) | AURKBMAPTAURKAAURKC | |
| SCHEMBL28022051 | 0.82 | HRH4 (0.41) | AURKBMAPTAURKALMNASMN1; SMN2 | |
| SCHEMBL28022063 | 0.81 | SMN1; SMN2 (0.42) | AURKBMAPTAURKAKDM4EALDH1A1 | |
| SCHEMBL28021745 | 0.81 | AURKB (0.41) | AURKBMAPTAURKAKDM4EALDH1A1 |
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 |