Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | CLK1 | P49759 | 5/20 | 0.36 |
| ▸ | CLK2 | P49760 | 5/20 | 0.36 |
| ▸ | DYRK1A | Q13627 | 5/20 | 0.36 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.36 |
| ▸ | DYRK1B | Q9Y463 | 4/20 | 0.36 |
| ▸ | CLK3 | P49761 | 3/20 | 0.36 |
| ▸ | CDK5 | Q00535 | 3/20 | 0.36 |
| ▸ | CDK5R1 | Q15078 | 3/20 | 0.36 |
| ▸ | NCOA3 | Q9Y6Q9 | 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 | |
|---|---|---|---|---|
| SCHEMBL29530749 | 0.87 | CYP1A2 (0.56) | CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL564720 | 0.87 | CYP1A2 (0.56) | CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL11640386 | 0.76 | ALDH1A1 (0.40) | CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL3785439 | 0.76 | ALDH1A1 (0.42) | CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL365309 | 0.75 | XDH (0.45) | ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL30751778 | 0.75 | XDH (0.45) | ALDH1A1SMN1; SMN2HTT | |
| SCHEMBL249967 | 0.75 | CA12 (0.49) | CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL29579481 | 0.73 | GAA (0.55) | ALDH1A1SMN1; SMN2KDM4EUSP2 | |
| SCHEMBL564715 | 0.72 | ALDH1A1 (0.40) | CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6 | |
| SCHEMBL29530507 | 0.72 | CLK1 (0.44) | CYP1A2CYP2E1CYP2A6CYP2C9CYP2B6 |
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-116940354-A | Fused heteroaryl compounds and their use as CaMKII inhibitors | 卡都瑞恩医药股份有限公司 | 2023-10-24 | — | — | CN | disclosed |
| EP-4216948-A1 | FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS | Cardurion Pharmaceuticals, Inc. (US) | 2023-08-02 | — | — | EP | disclosed |
| WO-2022067082-A1 | FUSED HETEROARYL COMPOUNDS AND THEIR USE AS CAMKII INHIBITORS | CARDURION PHARMACEUTICALS, LLC (US) | 2022-03-31 | — | — | WO | disclosed |