Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | HCRTR1 | O43613 | 10/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HCRTR2 | O43614 | 9/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19204379 | 0.82 | HCRTR1 (0.48) | HCRTR1HCRTR2 | |
| SCHEMBL27854226 | 0.81 | HCRTR1 (0.52) | HCRTR1HCRTR2 | |
| SCHEMBL29588462 | 0.80 | HCRTR1 (0.51) | HCRTR1KDM4EHCRTR2 | |
| SCHEMBL7913811 | 0.80 | HCRTR1 (0.51) | HCRTR1HCRTR2 | |
| SCHEMBL934700 | 0.80 | HCRTR1 (0.51) | HCRTR1KDM4EHCRTR2 | |
| SCHEMBL17539270 | 0.79 | HCRTR2 (0.45) | HCRTR1HCRTR2 | |
| SCHEMBL17501824 | 0.79 | HCRTR2 (0.44) | HCRTR1HCRTR2 | |
| SCHEMBL20550637 | 0.78 | HCRTR1 (0.50) | HCRTR1KDM4EHCRTR2 | |
| SCHEMBL20714330 | 0.78 | HCRTR1 (0.50) | HCRTR1HCRTR2 | |
| SCHEMBL20551182 | 0.78 | HCRTR1 (0.50) | HCRTR1KDM4EHCRTR2 |
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 |