Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 7/20 | 0.47 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.47 |
| ▸ | PTGES | O14684 | 1/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | STAT3 | P40763 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 6/20 | 0.46 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL18123531 | 0.83 | CYP19A1 (0.47) | CYP19A1ALOX5PTGESNFKB1STAT3 | |
| SCHEMBL17626921 | 0.80 | IDO1 (0.48) | CYP19A1ALOX5PTGESNFKB1STAT3 | |
| SCHEMBL3303362 | 0.79 | CYP19A1 (0.56) | CYP19A1ALOX5PTGESNFKB1STAT3 | |
| SCHEMBL16710352 | 0.79 | CYP19A1 (0.53) | CYP19A1ALOX5PTGESNFKB1STAT3 | |
| SCHEMBL30536248 | 0.79 | ALDH1A1 (0.52) | ALDH1A1GAAMEN1POLBHPGD | |
| SCHEMBL21358033 | 0.79 | GABRA1 (0.56) | ALOX5PTPN1ALDH1A1MEN1POLB | |
| SCHEMBL23027377 | 0.79 | HTT (0.60) | CYP19A1PTPN1AKR1C3ALDH1A1GAA | |
| SCHEMBL2689127 | 0.79 | ALDH1A1 (0.52) | ALDH1A1GAAMEN1POLBHPGD | |
| SCHEMBL2691262 | 0.77 | KMT2A (0.40) | AKR1C3AKR1C2ALDH1A1GAAMEN1 | |
| SCHEMBL24805134 | 0.77 | HTT (0.50) | CYP19A1PTPN1AKR1C3ALDH1A1MEN1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021032074-A1 | BENZAMIDE FUSED AROMATIC RING DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2021-02-25 | — | — | WO | disclosed |