Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 7/20 | 0.58 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.50 |
| ▸ | DNMT3A | Q9Y6K1 | 1/20 | 0.41 |
| ▸ | PI4KA | P42356 | 4/20 | 0.37 |
| ▸ | PI4K2B | Q8TCG2 | 4/20 | 0.37 |
| ▸ | PI4K2A | Q9BTU6 | 4/20 | 0.37 |
| ▸ | PI4KB | Q9UBF8 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | XDH | P47989 | 1/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.37 |
| ▸ | PIK3CD | O00329 | 2/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.34 |
| ▸ | KDR | P35968 | 6/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | TEK | Q02763 | 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 | |
|---|---|---|---|---|
| SCHEMBL28411314 | 0.81 | ADORA2A (0.54) | ADORA2AADORA1DNMT3API4KAPI4K2B | |
| SCHEMBL5801729 | 0.74 | ADORA2A (1.00) | ADORA2AADORA1DNMT3API4KAPI4K2B | |
| SCHEMBL23834271 | 0.73 | ADORA2A (0.58) | ADORA2AADORA1PI4KAPI4K2BPI4K2A | |
| SCHEMBL26976 | 0.71 | ADORA2A (0.61) | ADORA2AADORA1DNMT3API4KAPI4K2B | |
| SCHEMBL946620 | 0.69 | ADORA2A (0.56) | ADORA2AADORA1DNMT3API4KAPI4K2B | |
| SCHEMBL18076190 | 0.69 | ADORA2A (0.56) | ADORA2AADORA1DNMT3API4KAPI4K2B | |
| SCHEMBL1665392 | 0.68 | ADORA2A (0.71) | ADORA2AADORA1PI4KAPI4K2BPI4K2A | |
| SCHEMBL9275480 | 0.68 | TSHR (0.35) | ADORA2AADORA1LMNAPIK3CDADORA2B | |
| SCHEMBL4953789 | 0.68 | MEN1 (0.33) | ADORA2AADORA1PI4KAPI4K2BPI4K2A | |
| SCHEMBL4815870 | 0.68 | ADORA2A (0.71) | ADORA2AADORA1LMNAPIK3CDADORA2B |
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 |