Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 14/20 | 0.44 |
| ▸ | HCRTR1 | O43613 | 13/20 | 0.44 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.41 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL7917102 | 0.81 | HCRTR1 (0.54) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL2346746 | 0.78 | HCRTR2 (0.57) | HCRTR2HCRTR1ROCK2ROCK1CYP3A4 | |
| SCHEMBL2282965 | 0.76 | HCRTR2 (0.51) | HCRTR2HCRTR1ROCK2ROCK1HTR1A | |
| SCHEMBL2278339 | 0.76 | HCRTR2 (0.48) | HCRTR2HCRTR1ROCK2ROCK1POLB | |
| SCHEMBL2247118 | 0.71 | HCRTR2 (0.71) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL2306338 | 0.70 | HCRTR2 (0.60) | HCRTR2HCRTR1POLBHTR1AOPRM1 | |
| SCHEMBL2345216 | 0.68 | HCRTR2 (0.54) | HCRTR2HCRTR1POLBHTR1AOPRM1 | |
| SCHEMBL7921963 | 0.66 | HCRTR2 (0.58) | HCRTR2HCRTR1HTR1AOPRM1DRD3 | |
| SCHEMBL2346046 | 0.65 | HCRTR2 (0.59) | HCRTR2HCRTR1HTR1AOPRM1DRD3 | |
| SCHEMBL2881061 | 0.65 | HCRTR2 (0.59) | HCRTR2HCRTR1POLBHTR1AOPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010051237-A1 | 2,5-DISUBSTITUTED PHENYL CARBOXAMIDE OREXIN RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-05-06 | — | — | WO | disclosed |