Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.35 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | AXL | P30530 | 1/20 | 0.33 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.33 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.33 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 3/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | CASP1 | P29466 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.31 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| Quinoxaline SCHEMBL3988599 | 0.91 | ALDH1A1 (0.38) | ALDH1A1MAPTKDM4EPOLBMEN1 | |
| Quinoxaline SCHEMBL28050792 | 0.89 | ALDH1A1 (0.37) | ALDH1A1MAPTKDM4EPOLBMEN1 | |
| Quinoline SCHEMBL14977039 | 0.88 | ALDH1A1 (0.63) | ALDH1A1MAPTKDM4ENR4A2POLB | |
| Quinoline SCHEMBL27314055 | 0.87 | ALDH1A1 (0.61) | ALDH1A1MAPTKDM4ENR4A2POLB | |
| SCHEMBL28055407 | 0.86 | EGFR (0.38) | ALDH1A1MAPTKDM4E | |
| SCHEMBL28663518 | 0.81 | PSMD14 (0.42) | ALDH1A1MAPTKDM4ENR4A2ATAD2 | |
| Phenazine SCHEMBL28755011 | 0.80 | MAPT (0.50) | ALDH1A1MAPTKDM4EPOLBNPC1 | |
| Phenazine SCHEMBL28755089 | 0.80 | MAPT (0.50) | ALDH1A1MAPTKDM4EPOLBNPC1 | |
| SCHEMBL28021437 | 0.79 | GRM5 (0.42) | KDM4EPOLBNPC1RAB9AMEN1 | |
| Dipyridyl SCHEMBL15401742 | 0.77 | KDM4E (0.58) | ALDH1A1MAPTKDM4EPOLBNPC1 |
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-105492011-A | Therapeutic synergy of undesirable chemical compounds | BROWN DENNIS M | 2016-04-13 | — | — | 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 |