Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | CLK2 | P49760 | 1/20 | 0.44 |
| ▸ | GSK3A | P49840 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.44 |
| ▸ | STK3 | Q13188 | 1/20 | 0.44 |
| ▸ | HIPK4 | Q8NE63 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.42 |
| ▸ | RAF1 | P04049 | 14/20 | 0.42 |
| ▸ | BRAF | P15056 | 14/20 | 0.42 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | SMG1 | Q96Q15 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL12959029 | 0.88 | CNR2 (0.46) | CNR2KDM4EGAACLK2GSK3A | |
| SCHEMBL12654618 | 0.87 | CNR2 (0.46) | CNR2 | |
| SCHEMBL18427329 | 0.86 | CNR2 (0.50) | CNR2KDM4EGAACLK2GSK3A | |
| SCHEMBL12653744 | 0.85 | CNR2 (0.49) | CNR2KDM4EGAACLK2GSK3A | |
| Trifluoroacetic Acid SCHEMBL12806052 | 0.83 | CNR2 (0.47) | CNR2KDM4EGAACLK2GSK3A | |
| SCHEMBL12654397 | 0.83 | FAAH (0.41) | CNR2GAA | |
| SCHEMBL12959008 | 0.82 | PHGDH (0.49) | — | |
| SCHEMBL17655481 | 0.81 | KMO (0.43) | CNR2GAAGSK3B | |
| SCHEMBL16563676 | 0.81 | CNR1 (0.37) | CNR2KDM4EGAA | |
| SCHEMBL20632523 | 0.80 | ADORA2A (0.37) | CNR2KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9556201-B2 | Bicyclic pyridines and analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2017-01-31 | — | — | US | disclosed |
| US-9556201-B2 | Bicyclic pyridines and analogs as sirtuin modulators | GLAXOSMITHKLINE LLC (US) | 2017-01-31 | — | — | US | disclosed |
| EP-2493888-B1 | BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2016-04-06 | — | — | EP | disclosed |
| WO-2011059839-A1 | BICYCLIC PYRIDINES AND ANALOGS AS SIRTUIN MODULATORS | SIRTRIS PHARMACEUTICALS, INC. (US) | 2011-05-19 | — | — | WO | disclosed |