Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR1 | O43613 | 11/20 | 0.41 |
| ▸ | HCRTR2 | O43614 | 8/20 | 0.41 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.40 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1572330 | 1.00 | HCRTR1 (0.41) | HCRTR1HCRTR2MRGPRX1GBA1CACNA1H | |
| Hydrochloric Acid SCHEMBL1398738 | 0.80 | MRGPRX1 (0.44) | HCRTR1HCRTR2MRGPRX1CACNA1HNPC1 | |
| Hydrochloric Acid SCHEMBL1398737 | 0.80 | MRGPRX1 (0.44) | HCRTR1HCRTR2MRGPRX1CACNA1HNPC1 | |
| SCHEMBL984621 | 0.78 | HCRTR1 (0.42) | HCRTR1HCRTR2MRGPRX1GBA1CACNA1H | |
| SCHEMBL1339673 | 0.77 | HCRTR1 (0.43) | HCRTR1HCRTR2MRGPRX1GBA1CACNA1H | |
| SCHEMBL13176296 | 0.77 | HCRTR1 (0.43) | HCRTR1HCRTR2MRGPRX1GBA1CACNA1H | |
| SCHEMBL1572199 | 0.75 | HTR4 (0.50) | — | |
| SCHEMBL1571449 | 0.74 | MTNR1B (0.43) | NPC1ALDH1A1 | |
| SCHEMBL1572028 | 0.73 | HIF1A (0.48) | — | |
| SCHEMBL1571805 | 0.73 | CNR1 (0.50) | HCRTR1HCRTR2NPC1 |
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 |