Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 10/20 | 0.50 |
| ▸ | ESR2 | Q92731 | 10/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL25729724 | 0.77 | ESR1 (0.46) | ESR1ESR2CA2HTTGAA | |
| SCHEMBL5740193 | 0.74 | ESR1 (0.55) | ESR1ESR2CA2HTTGAA | |
| SCHEMBL28145858 | 0.73 | ESR1 (0.59) | ESR1ESR2CA2HTTGAA | |
| SCHEMBL10370633 | 0.70 | ESR1 (0.40) | ESR1ESR2CA2HTTGAA | |
| SCHEMBL10369249 | 0.69 | ESR1 (0.55) | ESR1ESR2CA2HTTGAA | |
| SCHEMBL5241572 | 0.69 | ESR2 (0.58) | ESR1ESR2CA2HTTGAA | |
| SCHEMBL11345611 | 0.68 | CYP2A6 (0.54) | HTT | |
| SCHEMBL13709514 | 0.68 | HSD17B1 (0.51) | ESR1ESR2CA2HSD17B1 | |
| SCHEMBL2317473 | 0.67 | HTT (0.61) | CA2HTTGAAL3MBTL1HSD17B1 | |
| SCHEMBL1805957 | 0.67 | CA2 (1.00) | CA2CA12CA1CA4CA6 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0129478-B1 | 2-SULFAMOYLBENZO (B) THIOPHENE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF ELEVATED INTRAOCULAR PRESSURE | MERCK & CO. INC. (US) | 1990-01-17 | — | — | EP | disclosed |
| EP-0129478-A2 | 2-Sulfamoylbenzo (b) thiophene derivatives, their preparation and pharmaceutical composition for the treatment of elevated intraocular pressure | MERCK & CO. INC. (US) | 1984-12-27 | — | — | EP | disclosed |