Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 6/20 | 0.39 |
| ▸ | CLK1 | P49759 | 3/20 | 0.38 |
| ▸ | CLK2 | P49760 | 2/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 2/20 | 0.37 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.37 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | JAK3 | P52333 | 1/20 | 0.37 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.37 |
| ▸ | PRKAB2 | O43741 | 2/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 2/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 2/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 2/20 | 0.36 |
| ▸ | PRKAG3 | Q9UGI9 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21621287 | 1.00 | ADORA1 (0.39) | ADORA1CLK1CLK2CLK4DYRK1B | |
| SCHEMBL29947063 | 0.83 | ADORA2A (0.53) | ADORA1CLK4ADORA2ATGFBR1LCK | |
| SCHEMBL21621289 | 0.83 | ADORA2A (0.53) | ADORA1CLK4ADORA2ATGFBR1LCK | |
| SCHEMBL30209591 | 0.83 | ADORA1 (0.41) | ADORA1ADORA2ATGFBR1MAP4K4LCK | |
| SCHEMBL28345881 | 0.83 | ADORA1 (0.41) | ADORA1ADORA2ATGFBR1MAP4K4LCK | |
| SCHEMBL22179732 | 0.83 | CLK4 (0.39) | ADORA1CLK1CLK2CLK4DYRK1B | |
| SCHEMBL30738356 | 0.83 | CLK4 (0.39) | ADORA1CLK1CLK2CLK4DYRK1B | |
| SCHEMBL28345346 | 0.82 | ADORA1 (0.39) | ADORA1ADORA2ARPS6KA3PRKAB2PRKAG1 | |
| SCHEMBL30353594 | 0.82 | ADORA1 (0.39) | ADORA1ADORA2ARPS6KA3PRKAB2PRKAG1 | |
| SCHEMBL28345882 | 0.81 | ADORA1 (0.61) | ADORA1ADORA2ATGFBR1MAP4K4LCK |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110684020-B | 2-aminopyrimidine derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-01-20 | — | — | CN | disclosed |
| CN-111094254-B | Heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-07-26 | — | — | CN | disclosed |