Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 6/20 | 0.48 |
| ▸ | CYP17A1 | P05093 | 5/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.48 |
| ▸ | TDO2 | P48775 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 3/20 | 0.44 |
| ▸ | GLA | P06280 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.44 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.44 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.43 |
| ▸ | AXL | P30530 | 1/20 | 0.43 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.43 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL13815328 | 0.82 | MAPT (0.55) | CYP11B1CYP17A1CYP11B2CYP3A4TDO2 | |
| SCHEMBL20449081 | 0.82 | CYP2A6 (0.53) | CYP11B1CYP17A1CYP11B2CYP3A4TDO2 | |
| SCHEMBL17336612 | 0.79 | CYP2A6 (0.51) | CYP11B1CYP17A1CYP11B2CYP3A4TDO2 | |
| SCHEMBL26631657 | 0.79 | PTGS2 (0.44) | CYP11B1CYP17A1CYP11B2CYP3A4TDO2 | |
| SCHEMBL3949315 | 0.74 | MAP4K4 (0.59) | CYP3A4TDO2ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL29576461 | 0.74 | MAP4K4 (0.59) | CYP3A4TDO2ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL21044132 | 0.74 | CYP11B1 (0.53) | CYP11B1CYP17A1CYP11B2CYP3A4TDO2 | |
| SCHEMBL17235277 | 0.74 | HSP90AA1 (0.57) | CYP11B1CYP3A4TDO2ALDH1A1CYP2A6 | |
| SCHEMBL29495773 | 0.73 | CYP2A6 (0.47) | CYP11B1CYP11B2CYP3A4TDO2ALDH1A1 | |
| SCHEMBL22969592 | 0.73 | CYP2A6 (0.47) | CYP11B1CYP11B2CYP3A4TDO2ALDH1A1 |
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-113200978-B | Isothia (selenium) azolone derivative and application thereof in anti-coronavirus drugs | 中国海洋大学 | 2022-09-16 | — | — | CN | disclosed |
| CN-113200978-A | Isothia (selenium) azolone derivative and application thereof in anti-coronavirus drugs | 中国海洋大学 | 2021-08-03 | — | — | CN | disclosed |