Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 15/20 | 0.61 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.59 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.47 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.45 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.45 |
| ▸ | MTOR | P42345 | 1/20 | 0.45 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.45 |
| ▸ | LCK | P06239 | 1/20 | 0.45 |
| ▸ | KDR | P35968 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.45 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL29947093 | 1.00 | ADORA1 (0.61) | ADORA1ADORA2AMAP4K4PIK3CDPIK3CA | |
| SCHEMBL23965690 | 0.89 | ADORA1 (0.47) | ADORA1ADORA2AMAP4K4LCKKDR | |
| SCHEMBL29947057 | 0.89 | ADORA1 (0.55) | ADORA1ADORA2AMAP4K4PIK3CDPIK3CA | |
| SCHEMBL21621288 | 0.89 | ADORA1 (0.55) | ADORA1ADORA2AMAP4K4PIK3CDPIK3CA | |
| SCHEMBL29947063 | 0.83 | ADORA2A (0.53) | ADORA1ADORA2APIK3CALCKKDR | |
| SCHEMBL21621289 | 0.83 | ADORA2A (0.53) | ADORA1ADORA2APIK3CALCKKDR | |
| SCHEMBL28343110 | 0.83 | ADK (0.48) | ADORA1ADORA2ALCKKDRJAK3 | |
| SCHEMBL30209593 | 0.83 | ADK (0.48) | ADORA1ADORA2ALCKKDRJAK3 | |
| SCHEMBL20392542 | 0.81 | ADORA2A (0.56) | ADORA1ADORA2AMAP4K4 | |
| SCHEMBL21621287 | 0.81 | ADORA1 (0.39) | ADORA1ADORA2AMAP4K4LCKKDR |
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-110684020-A | 2-aminopyrimidine derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2020-01-14 | — | — | CN | disclosed |