Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 9/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 7/20 | 0.37 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.34 |
| ▸ | MAP3K14 | Q99558 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.32 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
| ▸ | CLK1 | P49759 | 1/20 | 0.31 |
| ▸ | PIM1 | P11309 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28342788 | 1.00 | ADORA1 (0.38) | ADORA1ADORA2ADHFRRPS6KA3MAP3K14 | |
| SCHEMBL30353593 | 0.91 | ADORA1 (0.36) | ADORA1ADORA2ADHFRRPS6KA3KMT2A | |
| SCHEMBL28342708 | 0.91 | ADORA1 (0.36) | ADORA1ADORA2ADHFRRPS6KA3KMT2A | |
| SCHEMBL29947054 | 0.84 | ADORA2A (0.48) | ADORA1ADORA2AADORA2B | |
| SCHEMBL28938537 | 0.84 | ADORA2A (0.48) | ADORA1ADORA2AADORA2B | |
| SCHEMBL28345986 | 0.82 | MAP4K4 (0.39) | ADORA1ADORA2ADHFRRPS6KA3KMT2A | |
| SCHEMBL30209556 | 0.82 | MAP4K4 (0.39) | ADORA1ADORA2ADHFRRPS6KA3KMT2A | |
| SCHEMBL30353598 | 0.82 | ADORA1 (0.50) | ADORA1ADORA2ADHFRRPS6KA3KMT2A | |
| SCHEMBL28345465 | 0.82 | ADORA1 (0.50) | ADORA1ADORA2ADHFRRPS6KA3KMT2A | |
| SCHEMBL28345346 | 0.80 | ADORA1 (0.39) | ADORA1ADORA2ADHFRRPS6KA3MAP3K14 |
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-110655509-B | 2-aminopyrimidine derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2023-01-24 | — | — | CN | disclosed |