Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 9/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.47 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | PI4KA | P42356 | 5/20 | 0.44 |
| ▸ | PI4K2B | Q8TCG2 | 5/20 | 0.44 |
| ▸ | PI4K2A | Q9BTU6 | 5/20 | 0.44 |
| ▸ | PI4KB | Q9UBF8 | 5/20 | 0.44 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | EGFR | P00533 | 1/20 | 0.42 |
| ▸ | AHCY | P23526 | 4/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2698569 | 0.87 | ADORA2A (0.50) | ADORA2AADORA1GSK3BPI4KAPI4K2B | |
| SCHEMBL23397838 | 0.81 | ADORA2A (0.49) | ADORA2AADORA1GSK3BPI4KAPI4K2B | |
| SCHEMBL385843 | 0.78 | ADORA2A (0.55) | ADORA2AADORA1GSK3BPI4KAPI4K2B | |
| SCHEMBL5089696 | 0.76 | ENPP1 (0.46) | FGFR1SLC22A6 | |
| SCHEMBL1272854 | 0.76 | ADORA2A (0.51) | ADORA2AADORA1GSK3BPI4KAPI4K2B | |
| SCHEMBL14125909 | 0.75 | ADORA2A (0.51) | ADORA2AADORA1GSK3BPI4KAPI4K2B | |
| SCHEMBL283730 | 0.75 | FGFR1 (0.51) | ADORA2AADORA1GSK3BPI4KAPI4K2B | |
| SCHEMBL887808 | 0.75 | ADORA2A (0.59) | ADORA2AADORA1PI4KAPI4K2BPI4K2A | |
| SCHEMBL28086747 | 0.75 | ADORA2A (0.48) | ADORA2AADORA1GSK3BPI4KAPI4K2B | |
| SCHEMBL16485904 | 0.74 | GSK3B (0.48) | ADORA2AADORA1GSK3BPI4KAPI4K2B |
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-109836458-A | A kind of Aldoforwe ester isomer impurities and the preparation method and application thereof | 天津泰普药品科技发展有限公司 | 2019-06-04 | — | — | CN | disclosed |