Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.53 |
| ▸ | ERN1 | O75460 | 2/20 | 0.50 |
| ▸ | APP | P05067 | 2/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | NQO1 | P15559 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL19133572 | 0.86 | APP (0.57) | ERN1APPHSD17B1HSD17B2CA1 | |
| SCHEMBL12854022 | 0.84 | APP (0.55) | ERN1APPHSD17B1HSD17B2CA1 | |
| SCHEMBL27989389 | 0.81 | APP (0.57) | ERN1APPHSD17B1HSD17B2CA1 | |
| SCHEMBL3987975 | 0.81 | ERN1 (0.45) | CYP1A1CYP1A2CYP1B1ERN1APP | |
| SCHEMBL5685590 | 0.81 | CYP1A1 (0.47) | CYP1A1CYP1A2CYP1B1ERN1APP | |
| SCHEMBL8594827 | 0.81 | ERN1 (0.54) | CYP1A1CYP1A2CYP1B1ERN1APP | |
| SCHEMBL25165728 | 0.79 | CYP1A1 (0.41) | CYP1A1CYP1A2CYP1B1ERN1NPC1 | |
| SCHEMBL29732980 | 0.79 | APP (0.63) | ERN1APPHSD17B1HSD17B2CA1 | |
| SCHEMBL845603 | 0.79 | APP (0.63) | ERN1APPHSD17B1HSD17B2CA1 | |
| SCHEMBL21999866 | 0.78 | APP (0.50) | ERN1APPHSD17B1HSD17B2CA1 |
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-103724319-B | The preparation method of a kind of benzothiophenes and purification method thereof | 温州大学 | 2016-06-29 | — | — | CN | disclosed |