Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC2A1 | P11166 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TNIK | Q9UKE5 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | NAMPT | P43490 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28549342 | 0.86 | ACHE (0.48) | SLC2A1KDM4ETNIKIDO1MAPT | |
| SCHEMBL28022078 | 0.79 | PKM (0.44) | KDM4EMAPTALDH1A1LMNAGAA | |
| SCHEMBL28022048 | 0.79 | AURKA (0.46) | KDM4EMAPTALDH1A1CYP2C19 | |
| SCHEMBL28021626 | 0.77 | ATM (0.46) | MAPTALDH1A1MEN1KMT2A | |
| SCHEMBL28557357 | 0.77 | AURKB (0.49) | KDM4ETNIKMAPTALDH1A1SMN1; SMN2 | |
| SCHEMBL28021678 | 0.76 | ATM (0.45) | KDM4EMAPTALDH1A1LMNAGLA | |
| SCHEMBL28022063 | 0.75 | SMN1; SMN2 (0.42) | KDM4EMAPTALDH1A1LMNASMN1; SMN2 | |
| SCHEMBL28556178 | 0.75 | AURKA (0.39) | KDM4EMAPTALDH1A1SMN1; SMN2GAA | |
| SCHEMBL28570362 | 0.75 | RET (0.43) | MAPTALDH1A1LMNAACHESMN1; SMN2 | |
| SCHEMBL28570313 | 0.75 | KMT2A (0.37) | KDM4EMAPTALDH1A1SMN1; SMN2GAA |
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-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 |