Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | GALR3 | O60755 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.44 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.44 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.44 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.44 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.44 |
| ▸ | USP8 | P40818 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2350899 | 0.89 | IMPDH2 (0.50) | ESR2CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL23624362 | 0.82 | ESR2 (0.46) | ESR2ALDH1A1KDM4EMCL1LRRK2 | |
| SCHEMBL23624588 | 0.82 | ESR2 (0.46) | ESR2CA1CA2CYP1A2CYP2C9 | |
| SCHEMBL223 | 0.82 | ESR2 (0.69) | ESR2CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL29662886 | 0.82 | ESR2 (0.69) | ESR2CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| Water SCHEMBL3178714 | 0.82 | ESR2 (0.69) | ESR2CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL27895577 | 0.82 | ESR2 (0.69) | ESR2CA1CA2CYP1A2CYP2C9 | |
| SCHEMBL11228244 | 0.82 | IMPDH2 (0.59) | CA1CA2ALDH1A1KDM4EGAA | |
| SCHEMBL24067859 | 0.82 | ESR2 (0.39) | ESR2CYP1A2CYP2C9CYP2C19ALDH1A1 | |
| SCHEMBL45954 | 0.82 | CA1 (0.54) | CA1CA2ALDH1A1KDM4EGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-119219454-A | Method for preparing aromatic nitrile compound by photoinitiating nitroarene denitration cyanation | 武汉光化学技术研究院 | 2024-12-31 | — | — | CN | disclosed |