Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 3/20 | 0.31 |
| ▸ | GAA | P10253 | 3/20 | 0.31 |
| ▸ | SI | P14410 | 3/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 3/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 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 | |
|---|---|---|---|---|
| SCHEMBL8596620 | 0.88 | DCTPP1 (0.41) | CYP2D6CYP19A1CYP2C9CYP2C19DCTPP1 | |
| SCHEMBL8597874 | 0.87 | CYP2D6 (0.32) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CA | |
| SCHEMBL8597870 | 0.87 | CYP2D6 (0.36) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CA | |
| SCHEMBL8599873 | 0.85 | CHRNB2 (0.33) | CYP2D6PIK3CADCTPP1MGAMGAA | |
| SCHEMBL8601045 | 0.82 | CYP2D6 (0.39) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CA | |
| SCHEMBL8597697 | 0.81 | CYP2D6 (0.35) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CA | |
| SCHEMBL8601925 | 0.81 | CYP2D6 (0.38) | CYP2D6CYP19A1CYP2C9CYP2C19PIK3CA | |
| SCHEMBL8599817 | 0.76 | PORCN (0.34) | CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL7555471 | 0.76 | MAPT (0.42) | CYP2D6CYP19A1CYP2C9CYP2C19DCTPP1 | |
| SCHEMBL8598099 | 0.76 | CYP2D6 (0.38) | CYP2D6CYP19A1CYP2C9CYP2C19DCTPP1 |
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 |