Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 7/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.49 |
| ▸ | DRD3 | P35462 | 2/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.49 |
| ▸ | HTR1A | P08908 | 1/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.49 |
| ▸ | DRD1 | P21728 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL21172166 | 0.91 | KCNH2 (0.48) | KCNH2OPRM1DRD3CHRM2CHRM1 | |
| SCHEMBL17346283 | 0.89 | KCNH2 (0.54) | KCNH2OPRM1DRD3CHRM2CHRM1 | |
| SCHEMBL17345888 | 0.85 | KCNH2 (0.41) | KCNH2OPRM1DRD3CHRM2CHRM1 | |
| SCHEMBL17346165 | 0.82 | KCNH2 (0.46) | KCNH2OPRM1DRD3CHRM2CHRM1 | |
| SCHEMBL17346280 | 0.82 | KCNH2 (0.41) | KCNH2OPRM1DRD3CHRM2CHRM1 | |
| SCHEMBL24486732 | 0.81 | KCNH2 (0.55) | KCNH2OPRM1DRD3CHRM2CHRM1 | |
| SCHEMBL17346411 | 0.79 | SIGMAR1 (0.51) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL1920723 | 0.78 | KCNH2 (0.53) | KCNH2OPRM1DRD3CHRM2CHRM1 | |
| SCHEMBL17346428 | 0.78 | ALDH1A1 (0.43) | OPRM1DRD3CYP2C19DRD2OPRD1 | |
| SCHEMBL693168 | 0.77 | CYP2C19 (0.55) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4026860-A1 | BIO-ELECTRODE COMPOSITION, BIO-ELECTRODE, AND METHOD FOR MANUFACTURING BIO-ELECTRODE | Shin-Etsu Chemical Co., Ltd. (JP) | 2022-07-13 | — | — | EP | disclosed |