Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 14/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 12/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 4/20 | 0.50 |
| ▸ | PRKAB2 | O43741 | 3/20 | 0.37 |
| ▸ | PRKAG1 | P54619 | 3/20 | 0.37 |
| ▸ | PRKAA2 | P54646 | 3/20 | 0.37 |
| ▸ | PRKAA1 | Q13131 | 3/20 | 0.37 |
| ▸ | PRKAG3 | Q9UGI9 | 3/20 | 0.37 |
| ▸ | PRKAG2 | Q9UGJ0 | 3/20 | 0.37 |
| ▸ | PRKAB1 | Q9Y478 | 3/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.36 |
| ▸ | RPS6KA3 | P51812 | 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 | |
|---|---|---|---|---|
| SCHEMBL28938537 | 0.90 | ADORA2A (0.48) | ADORA2AADORA1ADORA2BPRKAB2PRKAG1 | |
| SCHEMBL29947054 | 0.90 | ADORA2A (0.48) | ADORA2AADORA1ADORA2BPRKAB2PRKAG1 | |
| SCHEMBL28881032 | 0.89 | ADORA2A (0.48) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL30353574 | 0.89 | ADORA2A (0.48) | ADORA2AADORA1ADORA2BADORA3 | |
| SCHEMBL30353567 | 0.84 | ADORA1 (0.36) | ADORA2AADORA1ADORA2BRPS6KA3 | |
| SCHEMBL28342670 | 0.84 | ADORA1 (0.36) | ADORA2AADORA1ADORA2BRPS6KA3 | |
| SCHEMBL30353593 | 0.84 | ADORA1 (0.36) | ADORA2AADORA1ADORA2BRPS6KA3 | |
| SCHEMBL21621289 | 0.84 | ADORA2A (0.53) | ADORA2AADORA1ADORA2B | |
| SCHEMBL29947063 | 0.84 | ADORA2A (0.53) | ADORA2AADORA1ADORA2B | |
| SCHEMBL30353588 | 0.84 | ADORA2A (0.45) | ADORA2AADORA1ADORA2BADORA3 |
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 5 patents. 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 |
| CN-111094254-B | Heteroaryl derivative, preparation method and application thereof in medicine | 江苏恒瑞医药股份有限公司 | 2022-07-26 | — | — | CN | disclosed |
| CN-111094254-A | Heteroaryl derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2020-05-01 | — | — | CN | disclosed |
| WO-2020011220-A1 | HETEROARYL DERIVATIVE, PREPARATION METHOD THEREFOR, AND MEDICAL USE THEREOF | 江苏恒瑞医药股份有限公司 | 2020-01-16 | — | — | WO | disclosed |
| CN-110655509-A | 2-aminopyrimidine derivatives, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2020-01-07 | — | — | CN | disclosed |