Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | AURKA | O14965 | 4/20 | 0.36 |
| ▸ | METAP2 | P50579 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27598876 | 0.76 | PARP1 (0.33) | KMT2APOLBMEN1KDM4EHPGD | |
| SCHEMBL28021626 | 0.76 | ATM (0.46) | KMT2APOLBMEN1RAB9AAURKA | |
| SCHEMBL28021607 | 0.75 | SLC2A1 (0.44) | KMT2ASMN1; SMN2MEN1KDM4EHPGD | |
| SCHEMBL28021678 | 0.73 | ATM (0.45) | KMT2AUSP2TSHRSMN1; SMN2POLB | |
| SCHEMBL27598875 | 0.70 | — | — | |
| SCHEMBL28021603 | 0.70 | ALDH1A1 (0.42) | KMT2AMEN1HPGDRXFP1RAB9A | |
| SCHEMBL28022078 | 0.70 | PKM (0.44) | KMT2ATSHRPOLBMEN1KDM4E | |
| SCHEMBL28549342 | 0.69 | ACHE (0.48) | KMT2ASMN1; SMN2POLBMEN1KDM4E | |
| SCHEMBL2206867 | 0.69 | MAPT (0.43) | KMT2AMAPK1USP2TSHRSMN1; SMN2 | |
| SCHEMBL2205815 | 0.68 | MAPT (0.43) | KMT2APOLBMEN1KDM4EGAA |
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 |