Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCRTR2 | O43614 | 20/20 | 0.56 |
| ▸ | HCRTR1 | O43613 | 15/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.50 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.50 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL1820754 | 1.00 | HCRTR2 (0.56) | HCRTR2HCRTR1CYP3A4NR1I2ADRA2B | |
| SCHEMBL1821513 | 0.90 | HCRTR2 (0.47) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL1821453 | 0.90 | HCRTR2 (0.54) | HCRTR2HCRTR1 | |
| SCHEMBL8219052 | 0.90 | HCRTR2 (0.54) | HCRTR2HCRTR1 | |
| SCHEMBL1819747 | 0.88 | HCRTR2 (0.47) | HCRTR2HCRTR1 | |
| SCHEMBL12378866 | 0.88 | HCRTR2 (0.45) | HCRTR2HCRTR1 | |
| SCHEMBL19698536 | 0.85 | HCRTR1 (0.59) | HCRTR2HCRTR1CYP3A4 | |
| SCHEMBL8217402 | 0.85 | HCRTR2 (0.53) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL2897364 | 0.85 | HCRTR2 (0.53) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 | |
| SCHEMBL5097795 | 0.84 | HCRTR2 (0.61) | HCRTR2HCRTR1NR1I2ADRA2BKCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016020403-A1 | PREPARATION OF A BENZOIC ACID DERIVATIVE AND ITS USE FOR THE PREPARATION OF SUVOREXANT | SANDOZ AG (CH) | 2016-02-11 | — | — | WO | disclosed |
| WO-2016020403-A1 | PREPARATION OF A BENZOIC ACID DERIVATIVE AND ITS USE FOR THE PREPARATION OF SUVOREXANT | SANDOZ AG (CH) | 2016-02-11 | — | — | WO | disclosed |