Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 13/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL27727132 | 0.84 | CYP17A1 (0.43) | CYP17A1CYP19A1 | |
| Bromide SCHEMBL28122988 | 0.83 | CYP17A1 (0.42) | CYP17A1CYP19A1 | |
| Bromide SCHEMBL28309476 | 0.83 | CYP17A1 (0.42) | CYP17A1CYP19A1CYP26A1KDM4E | |
| Water SCHEMBL28070577 | 0.83 | CYP17A1 (0.42) | CYP17A1CYP19A1 | |
| SCHEMBL2364797 | 0.81 | CYP17A1 (0.46) | CYP17A1CYP19A1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL28111930 | 0.81 | CYP17A1 (0.39) | CYP17A1CYP19A1KDM4E | |
| SCHEMBL28270201 | 0.81 | CYP17A1 (0.39) | CYP17A1CYP19A1 | |
| SCHEMBL27677508 | 0.80 | CYP17A1 (0.41) | CYP17A1CYP19A1 | |
| SCHEMBL9821483 | 0.80 | CYP17A1 (0.42) | CYP17A1CYP19A1CYP1A2CYP3A4CYP2D6 | |
| Bromide SCHEMBL27657528 | 0.80 | CYP17A1 (0.45) | CYP17A1CYP19A1CYP1A2CYP3A4CYP2D6 |
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-1922152-A | Novel imidazolium compound | KANTO KAGAKU (JP) | 2007-02-28 | — | — | CN | disclosed |