Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PI4KA | P42356 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.33 |
| ▸ | PTAFR | P25105 | 1/20 | 0.31 |
| ▸ | BRS3 | P32247 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8597874 | 0.87 | CYP2D6 (0.32) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CD | |
| SCHEMBL8600854 | 0.86 | CYP1A2 (0.34) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CD | |
| SCHEMBL8597870 | 0.85 | CYP2D6 (0.36) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CD | |
| SCHEMBL8597878 | 0.83 | PTAFR (0.36) | CYP2D6CYP19A1CYP2C9CYP2C19PTAFR | |
| SCHEMBL8601873 | 0.83 | HDAC1 (0.36) | — | |
| SCHEMBL8600308 | 0.82 | PTAFR (0.32) | PTAFR | |
| SCHEMBL8600971 | 0.81 | CYP2D6 (0.40) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CA | |
| SCHEMBL8601716 | 0.81 | PIK3CD (0.35) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CD | |
| SCHEMBL8597098 | 0.73 | SQOR (0.33) | CYP2D6CYP19A1CYP2C9CYP2C19BRS3 | |
| SCHEMBL8599019 | 0.73 | PTAFR (0.31) | PTAFR |
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 |
|---|---|---|---|---|---|---|---|
| US-5779934-A | FLUORINATING AN ALCOHOL DERIVATIVE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-07-14 | — | — | US | disclosed |