Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 3/20 | 0.32 |
| ▸ | DRD3 | P35462 | 3/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 2/20 | 0.31 |
| ▸ | DRD4 | P21917 | 2/20 | 0.31 |
| ▸ | DRD5 | P21918 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL808836 | 0.93 | KCNH2 (0.37) | KCNH2HRH3DRD2DRD3HTR1A | |
| Trimethylammonium SCHEMBL2672 | 0.89 | HRH3 (0.38) | HRH3DRD2DRD3HTR1ACA12 | |
| Diethylamine SCHEMBL28085448 | 0.87 | TP53 (0.40) | CYP3A4TSHR | |
| SCHEMBL10714277 | 0.83 | KCNH2 (0.35) | KCNH2HRH3DRD2DRD3HTR1A | |
| SCHEMBL10714595 | 0.83 | KCNH2 (0.35) | KCNH2HRH3DRD2DRD3HTR1A | |
| SCHEMBL44445 | 0.82 | — | — | |
| SCHEMBL155749 | 0.82 | — | — | |
| Trimethylammonium SCHEMBL851475 | 0.82 | ALDH1A1 (0.33) | HRH3HSD17B10KDM4E | |
| SCHEMBL2729745 | 0.82 | HRH3 (0.41) | HRH3DRD2DRD3HTR1ACA12 | |
| SCHEMBL21224483 | 0.82 | HRH3 (0.41) | HRH3DRD2DRD3HTR1ACA12 |
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-104011026-B | Insecticidal aromatic amides | 拜耳知识产权股份有限公司 | 2016-07-20 | — | — | CN | disclosed |