Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 2/20 | 0.50 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 2/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.44 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HPGDS | O60760 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.43 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28117665 | 0.92 | ABCB1 (0.45) | ABCB1MAPTMAPK1GAAMGAM | |
| SCHEMBL28837693 | 0.89 | MGAM (0.53) | ABCB1MAPTMAPK1PDE4APDE4B | |
| SCHEMBL28117898 | 0.87 | ERN1 (0.48) | MAPTMAPK1GAAMGAMSI | |
| SCHEMBL28837591 | 0.79 | TUBB4A (0.54) | MAPTNPC1RAB9A | |
| SCHEMBL28117798 | 0.79 | FYN (0.55) | MAPTGAAMGAMSIMGAM2 | |
| SCHEMBL28117777 | 0.78 | MAPT (0.42) | MAPTMAPK1ALDH1A1 | |
| SCHEMBL28118147 | 0.78 | FYN (0.58) | ALDH1A1 | |
| SCHEMBL30450155 | 0.77 | KCNH2 (0.62) | ABCB1MAPTMAPK1PDE4APDE4B | |
| SCHEMBL29014983 | 0.77 | KCNH2 (0.62) | ABCB1MAPTMAPK1PDE4APDE4B | |
| SCHEMBL28117707 | 0.76 | FYN (0.50) | — |
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-106279058-A | The preparation of 3,4-diaryl-1,2,5-diazole oxide and purposes | 沈阳药科大学 | 2017-01-04 | — | — | CN | disclosed |