Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 11/20 | 0.45 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 4/20 | 0.31 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.30 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL28569993 | 0.94 | CYP17A1 (0.40) | CYP17A1TBXAS1CYP3A4CYP2D6 | |
| SCHEMBL28670320 | 0.94 | CYP17A1 (0.40) | CYP17A1TBXAS1CYP3A4CYP2D6 | |
| SCHEMBL29250255 | 0.94 | CYP17A1 (0.40) | CYP17A1TBXAS1CYP3A4CYP2D6 | |
| SCHEMBL28426825 | 0.94 | CYP17A1 (0.40) | CYP17A1TBXAS1CYP3A4CYP2D6 | |
| SCHEMBL2364797 | 0.94 | CYP17A1 (0.46) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| Hydrochloric Acid SCHEMBL28670608 | 0.93 | CYP17A1 (0.40) | CYP17A1TBXAS1 | |
| Hydrochloric Acid SCHEMBL27754751 | 0.92 | CYP17A1 (0.45) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| Bromide SCHEMBL27657528 | 0.92 | CYP17A1 (0.45) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 | |
| SCHEMBL25440098 | 0.91 | CYP17A1 (0.43) | CYP17A1CYP19A1CYP11B1CYP11B2 | |
| SCHEMBL9821483 | 0.89 | CYP17A1 (0.42) | CYP17A1TBXAS1CYP19A1CYP1A2CYP3A4 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115064786-A | Electrolyte, zinc ion battery, and preparation method and application of zinc ion battery | 华南师范大学 | 2022-09-16 | — | — | CN | disclosed |
| CN-1922152-A | Novel imidazolium compound | KANTO KAGAKU (JP) | 2007-02-28 | — | — | CN | disclosed |