Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 18/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29502734 | 0.79 | ADORA2A (0.45) | ADORA2AHDAC1ADORA1 | |
| SCHEMBL21583441 | 0.79 | ADORA2A (0.45) | ADORA2AHDAC1ADORA1 | |
| SCHEMBL30738272 | 0.72 | ADORA2A (0.42) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL20392820 | 0.72 | ADORA2A (0.42) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL4045282 | 0.71 | ADORA2A (0.46) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL21176826 | 0.71 | ADORA2A (0.41) | ADORA2AHDAC1ADORA1 | |
| SCHEMBL30738347 | 0.71 | ADORA2A (0.41) | ADORA2AHDAC1ADORA1 | |
| SCHEMBL21814372 | 0.70 | ADORA2A (0.48) | ADORA2AHDAC1ADORA1 | |
| SCHEMBL29502741 | 0.70 | ADORA2A (0.47) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL21731039 | 0.70 | ADORA2A (0.47) | ADORA2AADORA1ADORA3ADORA2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109963854-B | Heteroaryl [4,3-c ] pyrimidine-5-amine derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-04-12 | — | — | CN | disclosed |
| EP-3575301-A1 | HETEROARYL[4,3-C]PYRIMIDINE-5-AMINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USES THEREOF | Jiangsu Hengrui Medicine Co., Ltd. (CN) | 2019-12-04 | — | — | EP | disclosed |
| CN-109963854-A | Heteroaryl simultaneously [4,3-c] pyrimidine -5- amine derivant, preparation method and its application in medicine | 江苏恒瑞医药股份有限公司 | 2019-07-02 | — | — | CN | disclosed |