Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 20/20 | 0.59 |
| ▸ | CIT | O14578 | 1/20 | 0.48 |
| ▸ | GAK | O14976 | 1/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.48 |
| ▸ | LATS2 | Q9NRM7 | 1/20 | 0.48 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.48 |
| ▸ | NR2C2 | P49116 | 1/20 | 0.48 |
| ▸ | CLK1 | P49759 | 1/20 | 0.48 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.48 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL17145106 | 1.00 | AAK1 (0.59) | AAK1CITGAKSLC6A2KCNH2 | |
| SCHEMBL28487457 | 0.87 | AAK1 (0.60) | AAK1CYP3A4ROCK2NR2C2CLK1 | |
| SCHEMBL28487458 | 0.87 | AAK1 (0.60) | AAK1CYP3A4ROCK2NR2C2CLK1 | |
| SCHEMBL28490159 | 0.86 | AAK1 (0.61) | AAK1CYP3A4ROCK2NR2C2CLK1 | |
| SCHEMBL28490158 | 0.86 | AAK1 (0.61) | AAK1CYP3A4ROCK2NR2C2CLK1 | |
| SCHEMBL28490196 | 0.85 | AAK1 (0.43) | AAK1CITGAKSLC6A2KCNH2 | |
| SCHEMBL28490192 | 0.85 | AAK1 (0.43) | AAK1CITGAKSLC6A2KCNH2 | |
| SCHEMBL28970032 | 0.76 | AAK1 (0.60) | AAK1CITGAKMKNK1BMP2K | |
| SCHEMBL28494743 | 0.76 | AAK1 (0.60) | AAK1CITGAKMKNK1BMP2K | |
| SCHEMBL19901192 | 0.74 | AAK1 (1.00) | AAK1CITGAKSLC6A2KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3126351-A1 | BIARYL KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2017-02-08 | — | — | EP | disclosed |
| WO-2015153720-A1 | BIARYL KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2015-10-08 | — | — | WO | disclosed |