Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN2A | Q99250 | 1/20 | 0.68 |
| ▸ | NR1H3 | Q13133 | 5/20 | 0.51 |
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.44 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | GRM5 | P41594 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3106326 | 1.00 | SCN2A (0.68) | SCN2ANR1H3ESR1NR1H2ESR2 | |
| SCHEMBL11808285 | 0.83 | ESR1 (0.72) | SCN2ANR1H3ESR1NR1H2ALDH1A1 | |
| SCHEMBL9216463 | 0.83 | SCN2A (0.70) | SCN2ANR1H3ESR1NR1H2ESR2 | |
| SCHEMBL9235862 | 0.81 | SCN2A (0.68) | SCN2ANR1H3ESR1NR1H2ALDH1A1 | |
| SCHEMBL6392226 | 0.79 | SCN2A (0.66) | SCN2ANR1H3ESR1NR1H2ALDH1A1 | |
| SCHEMBL6678239 | 0.79 | ESR1 (0.53) | SCN2ANR1H3ESR1NR1H2ESR2 | |
| SCHEMBL30273450 | 0.79 | ESR1 (0.53) | SCN2ANR1H3ESR1NR1H2ESR2 | |
| SCHEMBL10626656 | 0.78 | ESR1 (0.56) | SCN2AESR1ESR2KMT2ACASP1 | |
| SCHEMBL7729256 | 0.76 | MEN1 (0.53) | SCN2AESR1ESR2ALDH1A1KMT2A | |
| SCHEMBL5924351 | 0.76 | CYP3A4 (0.66) | SCN2ANR1H3ESR1NR1H2ESR2 |
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-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |