Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.35 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.33 |
| ▸ | CDC42BPB | Q9Y5S2 | 5/20 | 0.33 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.33 |
| ▸ | CDK9 | P50750 | 2/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 3/20 | 0.33 |
| ▸ | BRD4 | O60885 | 2/20 | 0.32 |
| ▸ | JAK2 | O60674 | 3/20 | 0.31 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.31 |
| ▸ | JAK1 | P23458 | 2/20 | 0.31 |
| ▸ | JAK3 | P52333 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1953802 | 0.86 | BTK (0.45) | CDK9CCNT1BTKBRD4JAK2 | |
| SCHEMBL16592839 | 0.82 | JAK2 (0.35) | ROCK1CDC42BPBROCK2CDK9BTK | |
| SCHEMBL16592825 | 0.81 | CDC42BPB (0.35) | ROCK1CDC42BPBROCK2CDK9CCNT1 | |
| SCHEMBL1950720 | 0.80 | BTK (0.35) | MAPK1ROCK1CDC42BPBROCK2BTK | |
| SCHEMBL16592834 | 0.78 | JAK1 (0.37) | CDK9BTKJAK2JAK1 | |
| SCHEMBL16592905 | 0.77 | JAK1 (0.38) | BTKJAK1 | |
| SCHEMBL1706611 | 0.72 | ROCK2 (0.44) | MAPK1ROCK1CDC42BPBROCK2BRD4 | |
| SCHEMBL1953472 | 0.71 | BTK (0.46) | CDK9CCNT1BTKJAK2GPR119 | |
| SCHEMBL1707100 | 0.70 | FPR2 (0.44) | CDK9CCNT1BTKBRD4JAK2 | |
| SCHEMBL1950678 | 0.67 | JAK1 (0.47) | JAK1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2440558-B1 | DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK | TAKEDA PHARMACEUTICAL (JP) | 2015-04-01 | — | — | EP | claimed |