Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 20/20 | 0.60 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | NR2C2 | P49116 | 1/20 | 0.50 |
| ▸ | CLK1 | P49759 | 1/20 | 0.50 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.50 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28487458 | 1.00 | AAK1 (0.60) | AAK1ROCK2CYP3A4NR2C2CLK1 | |
| SCHEMBL28490159 | 0.89 | AAK1 (0.61) | AAK1ROCK2CYP3A4NR2C2CLK1 | |
| SCHEMBL28490158 | 0.89 | AAK1 (0.61) | AAK1ROCK2CYP3A4NR2C2CLK1 | |
| SCHEMBL17145104 | 0.87 | AAK1 (0.59) | AAK1ROCK2CYP3A4NR2C2CLK1 | |
| SCHEMBL17145106 | 0.87 | AAK1 (0.59) | AAK1ROCK2CYP3A4NR2C2CLK1 | |
| SCHEMBL28487959 | 0.85 | AAK1 (0.59) | AAK1ROCK2CYP3A4NR2C2CLK4 | |
| SCHEMBL28487961 | 0.85 | AAK1 (0.59) | AAK1ROCK2CYP3A4NR2C2CLK4 | |
| SCHEMBL28485136 | 0.84 | AAK1 (0.58) | AAK1CYP3A4 | |
| SCHEMBL28485139 | 0.84 | AAK1 (0.58) | AAK1CYP3A4 | |
| SCHEMBL28484969 | 0.83 | AAK1 (0.52) | AAK1CYP3A4 |
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-115484951-A | AAK1 inhibitors for the treatment of viral infections | 莱西肯医药有限公司 | 2022-12-16 | — | — | CN | disclosed |
| CN-112142655-A | Biaryl kinase inhibitors | 百时美施贵宝公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-108368084-B | Biaryl kinase inhibitors | 百时美施贵宝公司 | 2020-10-16 | — | — | CN | disclosed |