Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.54 |
| ▸ | DRD2 | P14416 | 3/20 | 0.48 |
| ▸ | DRD4 | P21917 | 3/20 | 0.48 |
| ▸ | DRD3 | P35462 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.45 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.45 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.45 |
| ▸ | CDK1 | P06493 | 1/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.45 |
| ▸ | GSK3A | P49840 | 1/20 | 0.45 |
| ▸ | GSK3B | P49841 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28319223 | 0.89 | PDE4A (0.50) | NR1H2NPC1PDE4APDE4BPDE4C | |
| SCHEMBL28319227 | 0.85 | MAPK14 (0.44) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17055629 | 0.80 | IKBKB (0.47) | DRD2DRD4DRD3NPC1HTT | |
| SCHEMBL24964988 | 0.75 | IKBKB (0.58) | NR1H2HTTKDM4ETDP1HPGD | |
| SCHEMBL2867282 | 0.75 | NR1H2 (0.55) | NR1H2ALDH1A1NPC1HTTKDM4E | |
| SCHEMBL1774454 | 0.74 | LMNA (0.66) | ALDH1A1HTTKDM4EHPGDMAPT | |
| Hydrochloric Acid SCHEMBL23068261 | 0.73 | LMNA (0.64) | ALDH1A1HTTKDM4EHPGDMAPT | |
| SCHEMBL17055639 | 0.73 | PDE4A (0.48) | ALDH1A1NPC1KDM4EPDE4APDE4B | |
| SCHEMBL17054325 | 0.72 | IKBKB (0.53) | DRD2DRD4DRD3HTTKDM4E | |
| SCHEMBL21218907 | 0.72 | MEN1 (0.51) | KMT2AIKBKBMAP3K14MEN1LMNA |
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-106061975-B | Pyrazolo [1,5-A] pyrimidine as antiviral compound | 库洛维公司 | 2019-09-24 | — | — | CN | disclosed |