Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.64 |
| ▸ | CA12 | O43570 | 1/20 | 0.53 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | CA7 | P43166 | 1/20 | 0.53 |
| ▸ | CA9 | Q16790 | 1/20 | 0.53 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.53 |
| ▸ | AR | P10275 | 7/20 | 0.49 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.46 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5608759 | 0.83 | GAA (0.55) | ACHECA12CA1CA2CA7 | |
| SCHEMBL22925858 | 0.83 | ACHE (0.60) | ACHECA12CA1CA2CA7 | |
| SCHEMBL22925857 | 0.83 | ACHE (0.60) | ACHECA12CA1CA2CA7 | |
| SCHEMBL8736425 | 0.81 | AR (0.64) | ACHECA12CA1CA2CA7 | |
| SCHEMBL17258622 | 0.81 | ACHE (0.68) | ACHECA12CA1CA2CA7 | |
| SCHEMBL5608623 | 0.81 | SLC6A4 (0.47) | ACHEGAATDP1MAPTL3MBTL1 | |
| SCHEMBL12518 | 0.80 | ACHE (1.00) | ACHECA12CA1CA2CA7 | |
| SCHEMBL29403877 | 0.80 | ACHE (1.00) | ACHECA12CA1CA2CA7 | |
| SCHEMBL13564395 | 0.79 | CA12 (0.59) | ACHECA12CA1CA2CA7 | |
| SCHEMBL14586634 | 0.79 | AR (0.62) | ACHECA12CA1CA2CA7 |
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-2021012689-A1 | PHENYLTHIOPHENE SULFONAMIDE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国科学院上海有机化学研究所 | 2021-01-28 | — | — | WO | disclosed |