Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 2/20 | 0.63 |
| ▸ | CA1 | P00915 | 1/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | CA9 | Q16790 | 1/20 | 0.55 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.53 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.53 |
| ▸ | ERN1 | O75460 | 1/20 | 0.51 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | TNFRSF1A | P19438 | 3/20 | 0.49 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 5/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | ACLY | P53396 | 1/20 | 0.45 |
| ▸ | ESR1 | P03372 | 1/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL731486 | 0.85 | APP (0.65) | APPCA1CA2CA9HSD17B1 | |
| SCHEMBL13299934 | 0.85 | HDAC6 (0.50) | APPCA2HSD17B1HDAC2MAPT | |
| SCHEMBL732990 | 0.83 | APP (0.58) | APPCA1CA2CA9HSD17B1 | |
| SCHEMBL32677328 | 0.82 | APP (0.81) | APPCA1CA2CA9HSD17B1 | |
| SCHEMBL27159530 | 0.82 | APP (0.81) | APPCA1CA2CA9HSD17B1 | |
| SCHEMBL12871088 | 0.81 | ESR1 (0.71) | APPCA2HSD17B1HSD17B2HDAC2 | |
| SCHEMBL7639250 | 0.80 | APP (0.58) | APPCA1CA2CA9HSD17B1 | |
| SCHEMBL13305638 | 0.80 | APP (0.54) | APPCA1CA2CA9HSD17B1 | |
| SCHEMBL13299943 | 0.78 | HDAC6 (0.50) | HSD17B1HDAC2MAPTSMN1; SMN2HDAC6 | |
| SCHEMBL12871087 | 0.78 | HDAC6 (0.56) | CA2HDAC2MAPTSMN1; SMN2TNFRSF1A |
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 |