Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 18/20 | 0.53 |
| ▸ | CDK1 | P06493 | 17/20 | 0.53 |
| ▸ | GSK3A | P49840 | 17/20 | 0.53 |
| ▸ | CCNB2 | O95067 | 16/20 | 0.53 |
| ▸ | CCNB1 | P14635 | 16/20 | 0.53 |
| ▸ | CCNB3 | Q8WWL7 | 16/20 | 0.53 |
| ▸ | CDK5 | Q00535 | 15/20 | 0.53 |
| ▸ | CDK5R1 | Q15078 | 14/20 | 0.53 |
| ▸ | CDK2 | P24941 | 3/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 3/20 | 0.35 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.35 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.35 |
| ▸ | INSR | P06213 | 1/20 | 0.35 |
| ▸ | CFTR | P13569 | 1/20 | 0.35 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.35 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3951264 | 0.79 | MAPK1 (0.36) | GSK3BCDK1GSK3ACCNB2CCNB1 | |
| SCHEMBL1778575 | 0.71 | GSK3A (0.71) | GSK3BCDK1GSK3ACCNB2CCNB1 | |
| SCHEMBL1780566 | 0.70 | GSK3A (0.73) | GSK3BCDK1GSK3ACCNB2CCNB1 | |
| SCHEMBL11985805 | 0.70 | CCNB2 (0.50) | GSK3BCDK1GSK3ACCNB2CCNB1 | |
| SCHEMBL490581 | 0.69 | CDK1 (1.00) | GSK3BCDK1GSK3ACCNB2CCNB1 | |
| Bromide SCHEMBL490592 | 0.68 | GSK3A (0.97) | GSK3BCDK1GSK3ACCNB2CCNB1 | |
| SCHEMBL1777171 | 0.67 | GSK3A (0.68) | GSK3BCDK1GSK3ACCNB2CCNB1 | |
| SCHEMBL490775 | 0.67 | CCNB2 (1.00) | GSK3BCDK1GSK3ACCNB2CCNB1 | |
| SCHEMBL3949389 | 0.65 | CBFB (0.34) | AURKA | |
| SCHEMBL12590225 | 0.63 | MAPK1 (0.44) | GSK3BCDK1GSK3ACCNB2CCNB1 |
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 |