Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 1/20 | 0.45 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.43 |
| ▸ | XDH | P47989 | 1/20 | 0.43 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.41 |
| ▸ | F11 | P03951 | 1/20 | 0.41 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.40 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.39 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | GRK6 | P43250 | 1/20 | 0.38 |
| ▸ | PRKDC | P78527 | 1/20 | 0.38 |
| ▸ | ATR | Q13535 | 1/20 | 0.38 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL16612946 | 0.83 | ADORA2A (0.44) | ADORA2A | |
| SCHEMBL5546097 | 0.81 | ADORA2A (0.54) | HCRTR2ADORA2A | |
| SCHEMBL16612795 | 0.81 | KDM4E (0.43) | NOTUMPIN1HCRTR2EGLN1ADORA2A | |
| SCHEMBL1167684 | 0.81 | PIN1 (0.51) | NOTUMCLK4XDHSLC22A12PTGDR2 | |
| SCHEMBL15189624 | 0.81 | MEN1 (0.46) | HCRTR2ADORA2A | |
| SCHEMBL16613030 | 0.81 | KMO (0.42) | NOTUMHCRTR2ADORA2A | |
| SCHEMBL15189706 | 0.79 | GSK3B (0.51) | NOTUMCLK4PIN1 | |
| SCHEMBL16612964 | 0.78 | NOTUM (0.44) | NOTUMHCRTR2ADORA2A | |
| SCHEMBL16612941 | 0.78 | IP6K1 (0.46) | NOTUMXDHPIN1 | |
| SCHEMBL6286017 | 0.78 | NOTUM (0.44) | NOTUMCLK4XDHSLC22A12PTGDR2 |
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-2675801-B1 | NOVEL PYRAZOLE AND IMIDAZOLE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2015-04-08 | — | — | EP | claimed |