Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 1/20 | 0.41 |
| ▸ | NOS3 | P29474 | 2/20 | 0.40 |
| ▸ | NOS1 | P29475 | 2/20 | 0.40 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | RIOK2 | Q9BVS4 | 4/20 | 0.38 |
| ▸ | NR3C2 | P08235 | 2/20 | 0.38 |
| ▸ | GSK3A | P49840 | 1/20 | 0.38 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.38 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.36 |
| ▸ | ITGAV | P06756 | 5/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 3/20 | 0.36 |
| ▸ | ITGA5 | P08648 | 3/20 | 0.36 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.35 |
| ▸ | ITGB5 | P18084 | 1/20 | 0.35 |
| ▸ | ITGB6 | P18564 | 1/20 | 0.35 |
| ▸ | PLA2G2A | P14555 | 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 | |
|---|---|---|---|---|
| SCHEMBL16612665 | 0.84 | HCRTR2 (0.39) | HCRTR2NR3C2IRAK4 | |
| SCHEMBL16612825 | 0.79 | HCRTR2 (0.41) | HCRTR2GSK3A | |
| SCHEMBL16612857 | 0.78 | MTNR1A (0.44) | MAPK10KDM4E | |
| SCHEMBL16612778 | 0.77 | HCRTR2 (0.40) | HCRTR2 | |
| SCHEMBL16612841 | 0.76 | MAPT (0.40) | HCRTR2KDM4E | |
| SCHEMBL12479162 | 0.76 | HCRTR2 (0.39) | HCRTR2 | |
| SCHEMBL16612600 | 0.75 | HCRTR2 (0.43) | HCRTR2 | |
| SCHEMBL16612726 | 0.74 | ALDH1A1 (0.40) | HCRTR2KDM4EIRAK4 | |
| SCHEMBL16612752 | 0.73 | HCRTR2 (0.38) | HCRTR2 | |
| SCHEMBL16612943 | 0.73 | SIGMAR1 (0.47) | NR3C2 |
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 |