Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 1/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 5/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 2/20 | 0.30 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.30 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.30 |
| ▸ | CCKBR | P32239 | 2/20 | 0.30 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.30 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.30 |
| ▸ | MLNR | O43193 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.30 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.30 |
| ▸ | GMNN | O75496 | 1/20 | 0.30 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL14415940 | 0.78 | TBXAS1 (0.53) | CYP11B1CYP11B2TBXAS1CYP19A1CYP17A1 | |
| SCHEMBL13919194 | 0.69 | TBXAS1 (0.45) | CYP11B1CYP11B2TBXAS1CYP19A1CYP17A1 | |
| SCHEMBL27667254 | 0.69 | CYP11B1 (0.42) | CYP11B1CYP11B2TBXAS1CYP19A1CYP17A1 | |
| SCHEMBL10654788 | 0.69 | — | — | |
| SCHEMBL4066404 | 0.69 | — | — | |
| SCHEMBL1814815 | 0.68 | CYP17A1 (0.42) | CYP11B1CYP11B2TBXAS1CYP19A1CYP17A1 | |
| SCHEMBL9023298 | 0.68 | CYP17A1 (0.32) | TBXAS1CYP17A1 | |
| Bromide SCHEMBL28276997 | 0.67 | CYP11B1 (0.41) | CYP11B1CYP11B2TBXAS1CYP19A1CYP17A1 | |
| SCHEMBL21392728 | 0.67 | TBXAS1 (0.50) | CYP11B1CYP11B2TBXAS1CYP19A1CYP17A1 | |
| SCHEMBL7771361 | 0.67 | TBXAS1 (0.43) | CYP11B1CYP11B2TBXAS1CYP19A1CYP17A1 |
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-117720559-A | Keggin type polyacid-based Cu (II) coordination ion crystal and preparation method thereof | 北京化工大学 | 2024-03-19 | — | — | CN | claimed |
| CN-117720559-A | Keggin type polyacid-based Cu (II) coordination ion crystal and preparation method thereof | 北京化工大学 | 2024-03-19 | — | — | CN | disclosed |