Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 5/20 | 0.56 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.56 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.56 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.56 |
| ▸ | KCNE1 | P15382 | 1/20 | 0.56 |
| ▸ | KCNQ1 | P51787 | 1/20 | 0.56 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.56 |
| ▸ | CACNA1S | Q13698 | 1/20 | 0.56 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.56 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.56 |
| ▸ | KCND3 | Q9UK17 | 1/20 | 0.56 |
| ▸ | HHAT | Q5VTY9 | 3/20 | 0.55 |
| ▸ | PRCP | P42785 | 2/20 | 0.53 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL28067033 | 0.93 | CHRM3 (0.54) | CHRM3CHRM2CHRM1CYP2D6CACNA1F | |
| SCHEMBL12046708 | 0.91 | CHRM3 (0.60) | CHRM3CHRM2CHRM1CYP2D6CACNA1F | |
| SCHEMBL13041647 | 0.91 | CHRM3 (0.60) | CHRM3CHRM2CHRM1CYP2D6CACNA1F | |
| SCHEMBL1404035 | 0.91 | CHRM3 (0.60) | CHRM3CHRM2CHRM1CYP2D6CACNA1F | |
| SCHEMBL1696394 | 0.91 | CHRM3 (0.60) | CHRM3CHRM2CHRM1CYP2D6CACNA1F | |
| SCHEMBL22327677 | 0.84 | HHAT (0.62) | CHRM3CHRM2CHRM1CYP2D6CACNA1F | |
| SCHEMBL3073645 | 0.84 | HDAC3 (0.54) | CHRM3CHRM2CHRM1CYP2D6CACNA1F | |
| SCHEMBL1566253 | 0.84 | CHRM3 (0.57) | CHRM3CHRM2CHRM1CYP2D6CACNA1F | |
| SCHEMBL1566255 | 0.84 | CHRM3 (0.57) | CHRM3CHRM2CHRM1CYP2D6CACNA1F | |
| SCHEMBL7210566 | 0.84 | CHRM3 (0.52) | CHRM3CHRM2CHRM1CYP2D6CACNA1F |
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-103787969-B | A kind of (1S)-1-phenyl-3,4-dihydro-2(1H) preparation method of-isoquinolinecarboxylic acid ester | 上海京新生物医药有限公司 | 2016-07-06 | — | — | CN | disclosed |