Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 6/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | PTGDR2 | Q9Y5Y4 | 5/20 | 0.39 |
| ▸ | RIPK2 | O43353 | 3/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | BRAF | P15056 | 2/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.35 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.35 |
| ▸ | RET | P07949 | 1/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | PKMYT1 | Q99640 | 1/20 | 0.35 |
| ▸ | CMA1 | P23946 | 1/20 | 0.35 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2594512 | 0.90 | CYP1A2 (0.40) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL14730870 | 0.82 | DYRK1B (0.36) | CYP2C9CYP2C19CYP1A2CYP3A4RIPK2 | |
| SCHEMBL30880575 | 0.80 | RIPK2 (0.50) | RIPK2KCNH2DYRK1BRETKDR | |
| SCHEMBL600488 | 0.80 | RIPK2 (0.50) | RIPK2KCNH2DYRK1BRETKDR | |
| SCHEMBL14698006 | 0.80 | CYP2C9 (0.42) | CYP2C9CYP2C19CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL602052 | 0.79 | PNMT (0.36) | RIPK2KCNH2DYRK1BRETKDR | |
| SCHEMBL2589369 | 0.79 | DYRK1B (0.40) | CYP2C9CYP2C19CYP1A2RIPK2KCNH2 | |
| SCHEMBL4005800 | 0.78 | RIPK2 (0.42) | RIPK2KCNH2DYRK1BRETKDR | |
| SCHEMBL17552284 | 0.77 | ALDH1A1 (0.39) | CYP2C9CYP2C19RIPK2KCNH2DYRK1B | |
| SCHEMBL2595325 | 0.77 | CA9 (0.50) | BRAF |
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-2566477-A1 | AMINO-QUINOLINES AS KINASE INHIBITORS | Glaxo Group Limited (GB) | 2013-03-13 | — | — | EP | disclosed |
| WO-2011140442-A1 | AMINO-QUINOLINES AS KINASE INHIBITORS | GLAXO GROUP LIMITED (GB) | 2011-11-10 | — | — | WO | disclosed |