Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.66 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.66 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.66 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.48 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL22552058 | 1.00 | ADORA2A (0.66) | ADORA2AADORA1ADORA2BALDH1A1HPGD | |
| SCHEMBL22551795 | 0.88 | ADORA2A (0.59) | ADORA2AADORA1ADORA2BHTTMAPT | |
| SCHEMBL22551955 | 0.86 | ADORA2A (0.83) | ADORA2AADORA1ADORA2BALDH1A1HPGD | |
| SCHEMBL29906692 | 0.86 | ADORA2A (0.83) | ADORA2AADORA1ADORA2BALDH1A1HPGD | |
| SCHEMBL22552134 | 0.86 | ADORA2A (0.74) | ADORA2AADORA1ADORA2BALDH1A1HPGD | |
| SCHEMBL29906736 | 0.86 | ADORA2A (0.74) | ADORA2AADORA1ADORA2BALDH1A1HPGD | |
| SCHEMBL22552049 | 0.84 | ADORA2A (0.76) | ADORA2AADORA1ADORA2BALDH1A1HPGD | |
| SCHEMBL21722355 | 0.83 | ADORA2A (0.73) | ADORA2AADORA1ADORA2BALDH1A1HPGD | |
| SCHEMBL22551889 | 0.82 | ADORA2A (0.61) | ADORA2AADORA1ADORA2BALDH1A1HPGD | |
| SCHEMBL21730176 | 0.82 | ADORA2A (0.63) | ADORA2AADORA1ADORA2BALDH1A1TP53 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115181092-B | Pyrazine compounds and uses thereof | 迪哲(江苏)医药股份有限公司 | 2024-05-03 | — | — | CN | disclosed |
| CN-115181092-A | Pyrazine compounds and uses thereof | 迪哲(江苏)医药股份有限公司 | 2022-10-14 | — | — | CN | disclosed |
| CN-112279837-B | Pyrazine compounds and uses thereof | 迪哲(江苏)医药股份有限公司 | 2022-08-09 | — | — | CN | disclosed |