Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 2/20 | 0.36 |
| ▸ | GSK3A | P49840 | 15/20 | 0.35 |
| ▸ | GSK3B | P49841 | 15/20 | 0.35 |
| ▸ | CDK1 | P06493 | 14/20 | 0.35 |
| ▸ | CCNB2 | O95067 | 13/20 | 0.35 |
| ▸ | CCNB1 | P14635 | 13/20 | 0.35 |
| ▸ | CCNB3 | Q8WWL7 | 13/20 | 0.35 |
| ▸ | CDK5 | Q00535 | 10/20 | 0.35 |
| ▸ | CDK5R1 | Q15078 | 9/20 | 0.35 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.31 |
| ▸ | AURKA | O14965 | 2/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.31 |
| ▸ | PAK4 | O96013 | 2/20 | 0.31 |
| ▸ | ABL1 | P00519 | 2/20 | 0.31 |
| ▸ | FYN | P06241 | 2/20 | 0.31 |
| ▸ | RET | P07949 | 2/20 | 0.31 |
| ▸ | KDR | P35968 | 2/20 | 0.31 |
| ▸ | CDK8 | P49336 | 2/20 | 0.31 |
| ▸ | ACVR1 | Q04771 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3957112 | 0.79 | GSK3B (0.53) | MAPK1GSK3AGSK3BCDK1CCNB2 | |
| SCHEMBL12590225 | 0.63 | MAPK1 (0.44) | MAPK1GSK3AGSK3BCDK1CCNB2 | |
| SCHEMBL3957999 | 0.59 | CCNB2 (0.53) | GSK3AGSK3BCDK1CCNB2CCNB1 | |
| SCHEMBL3951853 | 0.59 | ROCK2 (0.35) | ROCK1 | |
| SCHEMBL3949389 | 0.58 | CBFB (0.34) | AURKA | |
| SCHEMBL14906033 | 0.54 | MAPK1 (0.45) | MAPK1 | |
| SCHEMBL545193 | 0.54 | MAPK1 (1.00) | MAPK1ROCK1CDK9 | |
| SCHEMBL11985805 | 0.54 | CCNB2 (0.50) | MAPK1GSK3AGSK3BCDK1CCNB2 | |
| SCHEMBL1778575 | 0.54 | GSK3A (0.71) | MAPK1GSK3AGSK3BCDK1CCNB2 | |
| SCHEMBL645486 | 0.54 | MAPK1 (0.40) | MAPK1CDK1CCNB2CCNB1CCNB3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009029625-A1 | 4- [HETEROCYCLYL-METHYL] -8-FLUORO-QUINOLIN-2-ONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |
| WO-2009029625-A1 | 4- [HETEROCYCLYL-METHYL] -8-FLUORO-QUINOLIN-2-ONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | KALYPSYS, INC. (US) | 2009-03-05 | — | — | WO | disclosed |