Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2169972 | 0.89 | L3MBTL1 (0.47) | ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL21988157 | 0.84 | FFAR1 (0.48) | ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11079771 | 0.83 | ALDH1A1 (0.54) | ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11609717 | 0.83 | ALDH1A1 (0.46) | ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL21465820 | 0.78 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL5652935 | 0.78 | ALDH1A1 (0.50) | ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7229107 | 0.78 | ALDH1A1 (0.47) | ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27746039 | 0.78 | SERPINH1 (0.48) | ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27746044 | 0.78 | SERPINH1 (0.48) | ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL18382609 | 0.77 | GABBR2 (0.56) | CYP1A2CYP2D6CYP2C19SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3725780-A1 | SULFONAMIDE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID-ADDITION SALT | University of Tsukuba (JP) | 2020-10-21 | — | — | EP | disclosed |