Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 20/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | BMP2K | Q9NSY1 | 2/20 | 0.42 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | NR2C2 | P49116 | 1/20 | 0.42 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.42 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.42 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.42 |
| ▸ | CIT | O14578 | 1/20 | 0.41 |
| ▸ | MKNK1 | Q9BUB5 | 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 | |
|---|---|---|---|---|
| SCHEMBL28480388 | 0.88 | AAK1 (0.63) | AAK1CYP3A4 | |
| SCHEMBL28479829 | 0.86 | AAK1 (0.57) | AAK1CYP3A4BMP2KROCK2NR2C2 | |
| SCHEMBL20447015 | 0.86 | AAK1 (0.57) | AAK1CYP3A4BMP2KROCK2NR2C2 | |
| SCHEMBL28480316 | 0.84 | AAK1 (0.59) | AAK1CYP3A4BMP2KROCK2NR2C2 | |
| SCHEMBL28480653 | 0.82 | AAK1 (0.56) | AAK1CYP3A4BMP2KROCK2NR2C2 | |
| SCHEMBL28487434 | 0.81 | AAK1 (0.55) | AAK1CYP3A4BMP2KMAP2K1HIPK4 | |
| SCHEMBL20447007 | 0.77 | AAK1 (0.66) | AAK1CYP3A4BMP2KROCK2NR2C2 | |
| SCHEMBL28905304 | 0.76 | AAK1 (0.72) | AAK1 | |
| SCHEMBL21508189 | 0.76 | AAK1 (0.78) | AAK1CYP3A4BMP2KROCK2NR2C2 | |
| SCHEMBL21649270 | 0.76 | AAK1 (0.78) | AAK1CYP3A4BMP2KROCK2NR2C2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |