Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | AOC3 | Q16853 | 3/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.41 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL11079771 | 0.83 | ALDH1A1 (0.54) | ALDH1A1AOC3L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL5652935 | 0.78 | ALDH1A1 (0.50) | ALDH1A1AOC3L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL21465820 | 0.78 | ALDH1A1 (0.50) | ALDH1A1AOC3L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL22562811 | 0.76 | ALDH1A1 (0.45) | ALDH1A1AOC3L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL341858 | 0.76 | ALDH1A1 (0.45) | ALDH1A1AOC3L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL27696196 | 0.76 | GABBR2 (0.55) | CYP1A2CYP2D6CYP2C19SLC6A2SLC6A4 | |
| SCHEMBL9872486 | 0.75 | ALDH1A1 (0.51) | ALDH1A1AOC3L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL10200947 | 0.75 | GABBR2 (0.64) | ALDH1A1L3MBTL1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11070462 | 0.74 | AOC3 (0.49) | ALDH1A1AOC3L3MBTL1CYP1A2CYP2D6 | |
| SCHEMBL6937456 | 0.73 | ALDH1A1 (0.43) | ALDH1A1AOC3L3MBTL1CYP1A2CYP2D6 |
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-0936906-B1 | REFLUX INHIBITORS | ASTRAZENECA AB (SE) | 2003-09-10 | — | — | EP | disclosed |