Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.31 |
| ▸ | VNN1 | O95497 | 1/20 | 0.31 |
| ▸ | CYP46A1 | Q9Y6A2 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL1315531 | 0.82 | CYP2D6 (0.35) | USP2CYP2D6ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL23536632 | 0.80 | VNN1 (0.38) | USP2CYP2D6ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL5523316 | 0.80 | USP2 (0.44) | USP2ALDH1A1TSHR | |
| SCHEMBL31387729 | 0.77 | MEN1 (0.39) | ALDH1A1MEN1KMT2ATSHR | |
| SCHEMBL17317128 | 0.77 | AVPR1A (0.33) | CYP2D6CYP3A4CYP46A1 | |
| SCHEMBL18040925 | 0.75 | JAK2 (0.35) | USP2CYP2D6ALDH1A1CYP2C19CYP3A4 | |
| SCHEMBL6697462 | 0.75 | L3MBTL1 (0.33) | CYP2D6ALDH1A1MEN1KMT2AVNN1 | |
| SCHEMBL27746269 | 0.75 | CYP46A1 (0.30) | CYP46A1 | |
| SCHEMBL18766525 | 0.75 | CYP2D6 (0.32) | USP2CYP2D6ALDH1A1CYP3A4CYP1A2 | |
| SCHEMBL22519764 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1694675-A2 | HYDRONOPOL DERIVATIVES AS AGONISTS ON HUMAN ORLI RECEPTORS | Solvay Pharmaceuticals GmbH (DE) | 2006-08-30 | — | — | EP | disclosed |
| WO-2005058890-A2 | HYDRONOPOL DERIVATIVES AS AGONISTS ON HUMAN ORL1 RECEPTORS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2005-06-30 | — | — | WO | disclosed |