Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | PDE5A | O76074 | 10/20 | 0.43 |
| ▸ | PDE4A | P27815 | 5/20 | 0.43 |
| ▸ | PDE4B | Q07343 | 5/20 | 0.43 |
| ▸ | PDE4C | Q08493 | 5/20 | 0.43 |
| ▸ | PDE4D | Q08499 | 5/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | PDE2A | O00408 | 1/20 | 0.37 |
| ▸ | PDE6D | O43924 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8748422 | 1.00 | CYP1A2 (0.44) | CYP1A2CYP2C19CYP2C9CYP19A1PDE5A | |
| SCHEMBL8748665 | 0.97 | CYP1A2 (0.48) | CYP1A2CYP2C19CYP2C9CYP19A1PDE5A | |
| SCHEMBL8748562 | 0.96 | CYP1A2 (0.41) | CYP1A2CYP2C19CYP2C9CYP19A1PDE5A | |
| SCHEMBL8749100 | 0.95 | CYP1A2 (0.40) | CYP1A2CYP2C19CYP2C9CYP19A1PDE5A | |
| SCHEMBL8748921 | 0.94 | CYP1A2 (0.50) | CYP1A2CYP2C19CYP2C9CYP19A1PDE5A | |
| SCHEMBL8748429 | 0.92 | CYP1A2 (0.45) | CYP1A2CYP2C19CYP2C9CYP19A1PDE5A | |
| SCHEMBL8748873 | 0.92 | CYP1A2 (0.45) | CYP1A2CYP2C19CYP2C9CYP19A1PDE5A | |
| SCHEMBL8748388 | 0.92 | CYP1A2 (0.45) | CYP1A2CYP2C19CYP2C9CYP19A1PDE5A | |
| SCHEMBL8748232 | 0.92 | L3MBTL1 (0.44) | CYP1A2CYP2C19CYP2C9CYP19A1PDE5A | |
| SCHEMBL8748617 | 0.90 | CYP1A2 (0.46) | CYP1A2CYP2C19CYP2C9CYP19A1PDE5A |
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-0754685-A2 | Derivatives from alkoxyalkoxy substituted nitrogen containing hetero rings | Rolic AG (CH) | 1997-01-22 | — | — | EP | disclosed |