Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 3/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.41 |
| ▸ | DGAT2 | Q96PD7 | 7/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | THPO | P40225 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | RORC | P51449 | 1/20 | 0.32 |
| ▸ | RORB | Q92753 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ELANE | P08246 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL1571969 | 0.89 | HCRTR2 (0.41) | HCRTR1HCRTR2CYP1A2CYP3A4THPO | |
| SCHEMBL1571900 | 0.88 | HCRTR1 (0.40) | HCRTR1HCRTR2CYP1A2CYP3A4THPO | |
| SCHEMBL1572290 | 0.88 | HCRTR1 (0.54) | HCRTR1HCRTR2 | |
| SCHEMBL1571651 | 0.88 | HCRTR2 (0.41) | HCRTR1HCRTR2LMNAALDH1A1TP53 | |
| SCHEMBL1572107 | 0.86 | HCRTR1 (0.44) | HCRTR1HCRTR2DGAT2CNR2 | |
| SCHEMBL1572354 | 0.84 | HCRTR1 (0.36) | HCRTR1HCRTR2 | |
| SCHEMBL1572231 | 0.84 | HCRTR1 (0.46) | HCRTR1HCRTR2 | |
| SCHEMBL21018623 | 0.82 | HCRTR1 (0.48) | HCRTR1HCRTR2 | |
| SCHEMBL923489 | 0.82 | HCRTR1 (0.48) | HCRTR1HCRTR2 | |
| SCHEMBL1572099 | 0.78 | HCRTR1 (0.54) | HCRTR1HCRTR2 |
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-2094690-B1 | 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS | ACTELION PHARMACEUTICALS LTD (CH) | 2011-04-13 | — | — | EP | disclosed |