Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 13/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 3/20 | 0.48 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.37 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.37 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.36 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.36 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.36 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.36 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.36 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.36 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL29947054 | 1.00 | ADORA2A (0.48) | ADORA2AADORA1ADORA2BPIK3R1PIK3CA | |
| SCHEMBL21621165 | 0.90 | ADORA2A (0.50) | ADORA2AADORA1ADORA2BPRKAB2PRKAG1 | |
| SCHEMBL30353574 | 0.87 | ADORA2A (0.48) | ADORA2AADORA1ADORA2BPIK3R1PIK3CA | |
| SCHEMBL28881032 | 0.87 | ADORA2A (0.48) | ADORA2AADORA1ADORA2BPIK3R1PIK3CA | |
| SCHEMBL28345401 | 0.84 | ADORA2A (0.43) | ADORA2AADORA1PIK3R1PIK3CA | |
| SCHEMBL30353568 | 0.84 | ADORA2A (0.43) | ADORA2AADORA1PIK3R1PIK3CA | |
| SCHEMBL28345346 | 0.84 | ADORA1 (0.39) | ADORA2AADORA1PRKAB2PRKAG1PRKAA2 | |
| SCHEMBL30353570 | 0.84 | ADORA1 (0.37) | ADORA2AADORA1ADORA2B | |
| SCHEMBL28345552 | 0.84 | ADORA1 (0.37) | ADORA2AADORA1ADORA2B | |
| SCHEMBL30353594 | 0.84 | ADORA1 (0.39) | ADORA2AADORA1PRKAB2PRKAG1PRKAA2 |
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 |