Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 5/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HRH1 | P35367 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28577049 | 0.89 | TLR8 (0.43) | KCNH2CYP1A2CYP2C19MAPT | |
| SCHEMBL28914856 | 0.81 | MEN1 (0.42) | KCNH2HRH1ALDH1A1GAAUSP2 | |
| SCHEMBL28584137 | 0.79 | RECQL (0.44) | ALDH1A1MAPTGRM2 | |
| SCHEMBL28915706 | 0.76 | USP2 (0.44) | ALDH1A1GAAUSP2GRM2TAAR1 | |
| SCHEMBL7685732 | 0.76 | USP2 (0.44) | ALDH1A1GAAUSP2GRM2TAAR1 | |
| SCHEMBL28594881 | 0.74 | MEN1 (0.46) | ALDH1A1GAAUSP2GRM2TAAR1 | |
| SCHEMBL16796869 | 0.73 | BCHE (0.63) | CYP1A2CYP2C9CYP2C19ALDH1A1USP2 | |
| SCHEMBL30842142 | 0.71 | TAAR1 (0.44) | KCNH2HRH1USP2MAPTTAAR1 | |
| SCHEMBL19425949 | 0.70 | HTR3A (0.43) | KCNH2ALDH1A1GAAMAPT | |
| SCHEMBL3034589 | 0.70 | HTT (0.41) | KCNH2ALDH1A1GAAUSP2GRM2 |
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-108440534-B | Efficient synthesis of beta-chiral bicyclic or polycyclic imidazole derivatives | 南开大学 | 2021-05-28 | — | — | CN | disclosed |