Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 4/20 | 0.38 |
| ▸ | AKR1C2 | P52895 | 4/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | RAD52 | P43351 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6478880 | 0.79 | TBXAS1 (0.51) | CYP2D6CYP2C19TBXAS1HDAC1 | |
| SCHEMBL8584497 | 0.79 | TBXAS1 (0.51) | CYP2D6CYP2C19TBXAS1HDAC1 | |
| SCHEMBL17545258 | 0.79 | CYP2D6 (0.44) | CYP1A2CYP2D6CYP2C19AKR1B1ALDH1A1 | |
| SCHEMBL28581228 | 0.78 | TBXAS1 (0.54) | CYP2D6CYP2C19TBXAS1HDAC1 | |
| SCHEMBL28448923 | 0.75 | AKR1B1 (0.55) | CYP1A2CYP2D6AKR1B1ALDH1A1AKR1C3 | |
| SCHEMBL8022865 | 0.75 | CPN1 (0.42) | CYP2C19ALDH1A1AKR1C3AKR1C2TBXAS1 | |
| SCHEMBL8588247 | 0.74 | CYP2C19 (0.50) | CYP2D6CYP2C19TBXAS1 | |
| SCHEMBL8588249 | 0.74 | CYP2C19 (0.50) | CYP2D6CYP2C19TBXAS1 | |
| SCHEMBL1448875 | 0.74 | AKR1C3 (0.65) | CYP1A2CYP2C19ALDH1A1AKR1C3AKR1C2 | |
| SCHEMBL6898435 | 0.73 | AKR1C3 (0.48) | CYP2D6AKR1C3AKR1C2AKR1C1PTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-117486929-A | Substituted alkyl germanium compound and modularized synthesis method thereof | 西安交通大学 | 2024-02-02 | — | — | CN | disclosed |