Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DYRK1A | Q13627 | 2/20 | 0.60 |
| ▸ | FDPS | P14324 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | AAK1 | Q2M2I8 | 6/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | PRKG2 | Q13237 | 2/20 | 0.44 |
| ▸ | CIT | O14578 | 1/20 | 0.44 |
| ▸ | GAK | O14976 | 1/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.44 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.44 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.42 |
| ▸ | BCR | P11274 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14063532 | 0.85 | DYRK1A (0.62) | DYRK1AFDPSCLK4AAK1CYP3A4 | |
| SCHEMBL8325218 | 0.80 | CCR1 (0.55) | DYRK1ACLK4AAK1CYP3A4CYP1A2 | |
| SCHEMBL31891559 | 0.80 | CCR1 (0.55) | DYRK1ACLK4AAK1CYP3A4CYP1A2 | |
| SCHEMBL28992906 | 0.78 | AAK1 (0.46) | DYRK1AAAK1CYP3A4PRKG2CIT | |
| SCHEMBL28936285 | 0.77 | KIF11 (0.48) | DYRK1AAAK1CYP3A4PRKG2CIT | |
| SCHEMBL30559520 | 0.77 | PLAU (0.43) | FDPSAAK1CYP3A4PRKG2CIT | |
| SCHEMBL4084384 | 0.75 | DYRK1A (1.00) | DYRK1AFDPSCLK4ROCK2NPC1 | |
| SCHEMBL31288165 | 0.74 | DYRK1A (0.66) | DYRK1AFDPSCLK4CYP3A4ROCK2 | |
| SCHEMBL4094606 | 0.74 | DYRK1A (0.66) | DYRK1AFDPSCLK4CYP3A4ROCK2 | |
| SCHEMBL24573019 | 0.70 | DYRK1A (0.60) | DYRK1AFDPSCLK4NPC1ABL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115872927-A | AAK1 inhibitors and uses thereof | 武汉人福创新药物研发中心有限公司 | 2023-03-31 | — | — | CN | disclosed |