Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 8/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.45 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
| ▸ | PDE1A | P54750 | 1/20 | 0.43 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.43 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.41 |
| ▸ | ADH5 | P11766 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL17630141 | 0.83 | ADH5 (0.44) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL17643465 | 0.82 | ADH5 (0.50) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL17629958 | 0.81 | PDE2A (0.48) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL17630146 | 0.81 | PDE2A (0.47) | CYP2D6CYP3A4CYP1A2CYP2C19CYP19A1 | |
| SCHEMBL17630120 | 0.80 | PDE2A (0.47) | CYP2D6CYP3A4CYP1A2CYP2C19CYP19A1 | |
| SCHEMBL17643462 | 0.80 | ADH5 (0.52) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL17630062 | 0.78 | ADH5 (0.47) | CYP2D6CYP3A4CYP1A2CYP2C19CYP19A1 | |
| SCHEMBL17629950 | 0.78 | PDE2A (0.48) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 | |
| SCHEMBL17629915 | 0.77 | ADH5 (0.47) | CYP2D6CYP3A4CYP1A2CYP2C19CYP19A1 | |
| SCHEMBL17630020 | 0.77 | ADH5 (0.62) | CYP2D6CYP2C9CYP3A4CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016046782-A1 | IMIDAZOLE BIARYL COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS | GLENMARK PHARMACEUTICALS S.A. (CH) | 2016-03-31 | — | — | WO | disclosed |