Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 2/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 7/20 | 0.33 |
| ▸ | CA1 | P00915 | 7/20 | 0.33 |
| ▸ | CA2 | P00918 | 7/20 | 0.33 |
| ▸ | CA9 | Q16790 | 4/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12221621 | 0.90 | HSD17B10 (0.44) | HSD17B10MAPTALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL13019176 | 0.80 | THRB (0.53) | HSD17B10THRBNR3C1FYNADRA2A | |
| SCHEMBL10056659 | 0.80 | THRB (0.53) | HSD17B10THRBNR3C1FYNADRA2A | |
| SCHEMBL8908686 | 0.79 | CYP2D6 (0.56) | HSD17B10MAPTTHRBNR3C1FYN | |
| SCHEMBL13619819 | 0.77 | CA12 (0.35) | HSD17B10MAPTALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL6983984 | 0.74 | THRB (0.53) | HSD17B10MAPTALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL6972712 | 0.74 | TSHR (0.46) | HSD17B10MAPTALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL6976048 | 0.74 | THRB (0.53) | HSD17B10MAPTALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL16127051 | 0.73 | TSHR (0.48) | HSD17B10MAPTALDH1A1CYP3A4CYP2C19 | |
| SCHEMBL16126907 | 0.73 | CYP2D6 (0.55) | HSD17B10MAPTTHRBNR3C1FYN |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009132832-A2 | METHOD FOR THE PRODUCTION OF 1,4-BENZOTHIEPIN-1,1-DIOXIDE DERIVATIVES | SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) | 2009-11-05 | — | — | WO | disclosed |