Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 6/20 | 0.64 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.64 |
| ▸ | APP | P05067 | 2/20 | 0.47 |
| ▸ | HSD17B1 | P14061 | 3/20 | 0.46 |
| ▸ | HSD17B2 | P37059 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ERN1 | O75460 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7774208 | 0.82 | ESR2 (0.74) | ESR1ESR2APPHSD17B1HSD17B2 | |
| SCHEMBL9602374 | 0.80 | HSD17B1 (0.61) | ESR1ESR2APPHSD17B1HSD17B2 | |
| SCHEMBL2150417 | 0.80 | ESR1 (0.66) | ESR1ESR2APPHSD17B1HSD17B2 | |
| SCHEMBL28073052 | 0.79 | APP (0.68) | ESR1ESR2APPHSD17B1HSD17B2 | |
| SCHEMBL5682837 | 0.78 | ESR1 (0.53) | ESR1ESR2APPHSD17B1HSD17B2 | |
| SCHEMBL13299951 | 0.78 | ESR1 (0.63) | ESR1ESR2APPHSD17B1HSD17B2 | |
| SCHEMBL29766071 | 0.78 | APP (0.71) | ESR1ESR2APPHSD17B1HSD17B2 | |
| SCHEMBL163523 | 0.78 | APP (0.71) | ESR1ESR2APPHSD17B1HSD17B2 | |
| SCHEMBL7643423 | 0.78 | ESR1 (1.00) | ESR1ESR2APPHSD17B1HSD17B2 | |
| SCHEMBL28073090 | 0.78 | ESR1 (0.64) | ESR1ESR2APPHSD17B1HSD17B2 |
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 |