Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.33 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL708899 | 0.81 | GABBR2 (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL20832362 | 0.73 | ALDH1A1 (0.33) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL14245092 | 0.70 | GABBR2 (0.32) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL21752859 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL14410282 | 0.65 | POLB (0.44) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL14521498 | 0.64 | ALDH1A1 (0.33) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL6322861 | 0.63 | HIF1A (0.41) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL31525867 | 0.62 | MAPT (0.36) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL882868 | 0.62 | HIF1A (0.33) | CYP1A2CYP2D6CYP2C9CYP2C19HIF1A | |
| SCHEMBL811190 | 0.62 | POLB (0.39) | GABBR2GABBR1 |
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-2002068434-A1 | NOVEL DIPHOSPHINES AND A METHOD FOR THEIR PRODUCTION | CELANESE CHEMICALS EUROPE GMBH (DE) | 2002-09-06 | — | — | WO | disclosed |