Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 2/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 4/20 | 0.39 |
| ▸ | ADORA1 | P30542 | 6/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 2/20 | 0.39 |
| ▸ | LCK | P06239 | 1/20 | 0.39 |
| ▸ | KDR | P35968 | 1/20 | 0.39 |
| ▸ | JAK3 | P52333 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28345986 | 1.00 | MAP4K4 (0.39) | MAP4K4TGFBR1ADORA1MAPK14LCK | |
| SCHEMBL28342708 | 0.85 | ADORA1 (0.36) | ADORA1MAPK14ADORA2ARPS6KA3KMT2A | |
| SCHEMBL30353593 | 0.85 | ADORA1 (0.36) | ADORA1MAPK14ADORA2ARPS6KA3KMT2A | |
| SCHEMBL21621289 | 0.83 | ADORA2A (0.53) | TGFBR1ADORA1MAPK14LCKKDR | |
| SCHEMBL29947063 | 0.83 | ADORA2A (0.53) | TGFBR1ADORA1MAPK14LCKKDR | |
| SCHEMBL28342788 | 0.82 | ADORA1 (0.38) | ADORA1MAPK14ADORA2ARPS6KA3KMT2A | |
| SCHEMBL30353575 | 0.82 | ADORA1 (0.38) | ADORA1MAPK14ADORA2ARPS6KA3KMT2A | |
| SCHEMBL28345882 | 0.81 | ADORA1 (0.61) | MAP4K4TGFBR1ADORA1MAPK14LCK | |
| SCHEMBL29947093 | 0.81 | ADORA1 (0.61) | MAP4K4TGFBR1ADORA1MAPK14LCK | |
| SCHEMBL28345881 | 0.80 | ADORA1 (0.41) | MAP4K4TGFBR1ADORA1MAPK14LCK |
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-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 |