Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 9/20 | 0.57 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.57 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.51 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.42 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.42 |
| ▸ | PRKAB2 | O43741 | 4/20 | 0.41 |
| ▸ | PRKAG1 | P54619 | 4/20 | 0.41 |
| ▸ | PRKAA2 | P54646 | 4/20 | 0.41 |
| ▸ | PRKAA1 | Q13131 | 4/20 | 0.41 |
| ▸ | PRKAG3 | Q9UGI9 | 4/20 | 0.41 |
| ▸ | PRKAG2 | Q9UGJ0 | 4/20 | 0.41 |
| ▸ | PRKAB1 | Q9Y478 | 4/20 | 0.41 |
| ▸ | CDK9 | P50750 | 2/20 | 0.38 |
| ▸ | CCNK | O75909 | 1/20 | 0.38 |
| ▸ | CDK7 | P50613 | 1/20 | 0.38 |
| ▸ | CCNH | P51946 | 1/20 | 0.38 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.38 |
| ▸ | CDK12 | Q9NYV4 | 1/20 | 0.38 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29947098 | 1.00 | ADORA1 (0.57) | ADORA1ADORA2AADORA2BCSNK2A2CSNK2B | |
| SCHEMBL29947148 | 0.90 | ADORA1 (0.48) | ADORA1ADORA2AADORA2BPRKAB2PRKAG1 | |
| SCHEMBL21621303 | 0.90 | ADORA1 (0.48) | ADORA1ADORA2AADORA2BPRKAB2PRKAG1 | |
| SCHEMBL21621280 | 0.87 | RPS6KA3 (0.44) | ADORA1ADORA2AMERTK | |
| SCHEMBL29947083 | 0.87 | RPS6KA3 (0.44) | ADORA1ADORA2AMERTK | |
| SCHEMBL21621266 | 0.83 | ADORA1 (0.59) | ADORA1ADORA2AADORA2BCSNK2A2CSNK2B | |
| SCHEMBL29947111 | 0.83 | ADORA1 (0.59) | ADORA1ADORA2AADORA2BCSNK2A2CSNK2B | |
| SCHEMBL21621248 | 0.74 | ADORA1 (0.48) | ADORA1ADORA2AADORA2BPRKAB2PRKAG1 | |
| SCHEMBL29947045 | 0.74 | ADORA1 (0.48) | ADORA1ADORA2AADORA2BPRKAB2PRKAG1 | |
| SCHEMBL28345465 | 0.72 | ADORA1 (0.50) | ADORA1ADORA2A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |