Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT1 | P31749 | 1/20 | 0.53 |
| ▸ | AKT2 | P31751 | 1/20 | 0.53 |
| ▸ | CDK8 | P49336 | 1/20 | 0.49 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.46 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | AXL | P30530 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.41 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.40 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.40 |
| ▸ | DYRK2 | Q92630 | 2/20 | 0.40 |
| ▸ | DYRK1B | Q9Y463 | 2/20 | 0.40 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL24345957 | 1.00 | AKT1 (0.53) | AKT1AKT2CDK8TRIM24TRIM33 | |
| SCHEMBL30424015 | 0.81 | AKT2 (0.71) | AKT1AKT2RPS6KA3ACVR1DYRK1A | |
| SCHEMBL346974 | 0.79 | TRIM24 (0.64) | CDK8TRIM24TRIM33CA12CA1 | |
| SCHEMBL24226877 | 0.78 | AKT2 (0.55) | AKT1AKT2ERN1ACVR1MYLK4 | |
| SCHEMBL31194828 | 0.77 | AKT1 (0.50) | AKT1AKT2ERN1RPS6KA3ACVR1 | |
| SCHEMBL30795063 | 0.77 | PIM1 (0.43) | AKT1AKT2ERN1ACVR1MYLK4 | |
| SCHEMBL27621710 | 0.77 | TRIM24 (0.68) | CDK8TRIM24TRIM33CA12CA1 | |
| Hydrochloric Acid SCHEMBL22042397 | 0.77 | AKT2 (0.53) | AKT1AKT2ERN1ACVR1MYLK4 | |
| SCHEMBL20597906 | 0.77 | AKT2 (0.59) | AKT1AKT2RPS6KA3ACVR1PIM1 | |
| SCHEMBL31313039 | 0.75 | TRIM24 (0.60) | CDK8TRIM24TRIM33CA12CA1 |
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-114573566-B | Selective ROCK2 kinase inhibitors | 杭州邦顺制药有限公司 | 2023-05-30 | — | — | CN | disclosed |
| CN-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |
| CN-114573566-A | Selective ROCK2 kinase inhibitors | 杭州邦顺制药有限公司 | 2022-06-03 | — | — | CN | disclosed |