Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHUK | O15111 | 1/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.38 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.37 |
| ▸ | GUSB | P08236 | 1/20 | 0.36 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.35 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | USP8 | P40818 | 1/20 | 0.34 |
| ▸ | USP7 | Q93009 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9316783 | 0.78 | LRRK2 (0.47) | MCL1ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL6616056 | 0.78 | CHUK (0.43) | CHUKCYP11B1GUSBMCL1IMPDH2 | |
| SCHEMBL27083258 | 0.76 | PDE9A (0.41) | CYP11B1CYP11B2MCL1ALDH1A1ESR2 | |
| SCHEMBL2650416 | 0.74 | ESR2 (0.48) | CHUKCYP11B1CYP11B2CUL4ABCAT1 | |
| SCHEMBL1780240 | 0.72 | MCL1 (0.46) | CHUKMCL1IMPDH2IMPDH1ALDH1A1 | |
| SCHEMBL9069185 | 0.72 | ESR2 (0.47) | CHUKCYP11B1CYP11B2CUL4ABCAT1 | |
| SCHEMBL28161962 | 0.71 | PIK3CA (0.41) | GUSBNISCHKDM4EHPGDMEN1 | |
| SCHEMBL12670741 | 0.70 | CHUK (0.47) | CHUKCYP11B1CYP11B2CUL4ABCAT1 | |
| SCHEMBL1605889 | 0.69 | PDK2 (0.46) | CHUKCYP11B1CYP11B2CUL4ABCAT1 | |
| SCHEMBL100446 | 0.68 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117126093-B | Preparation method of voronoi intermediate | 潍坊医学院 | 2023-12-29 | — | — | CN | disclosed |
| CN-117126093-A | Preparation method of voronoi intermediate | 潍坊医学院 | 2023-11-28 | — | — | CN | disclosed |
| CN-114835619-A | Process for preparing azole compounds | 武田药品工业株式会社 | 2022-08-02 | — | — | CN | disclosed |