Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 12/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 12/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | AKR1C4 | P17516 | 2/20 | 0.39 |
| ▸ | AKR1C1 | Q04828 | 2/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 4/20 | 0.39 |
| ▸ | CFTR | P13569 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL2745486 | 0.82 | AR (0.40) | AKR1C3AKR1C2ARAKR1C4AKR1C1 | |
| SCHEMBL3711505 | 0.81 | HDAC1 (0.41) | AKR1C3AKR1C2AKR1C4AKR1C1 | |
| SCHEMBL11270744 | 0.78 | AKR1C3 (0.59) | AKR1C3AKR1C2AKR1C4AKR1C1 | |
| SCHEMBL7934481 | 0.76 | AKR1C3 (0.47) | AKR1C3AKR1C2MAPK1 | |
| SCHEMBL9300518 | 0.74 | ALDH1A1 (0.47) | — | |
| Cadaverine Tartrate SCHEMBL3165443 | 0.71 | ADRB2 (0.55) | AKR1C3AKR1C2AR | |
| SCHEMBL3653822 | 0.71 | AKR1C3 (0.44) | AKR1C3AKR1C2ARAKR1C4AKR1C1 | |
| SCHEMBL17665552 | 0.70 | MEN1 (0.39) | AKR1C3AKR1C2AKR1C4AKR1C1AKR1B10 | |
| SCHEMBL30868019 | 0.70 | GAA (0.47) | AKR1C3AKR1C2ARFFAR4 | |
| SCHEMBL397079 | 0.70 | GAA (0.47) | AKR1C3AKR1C2ARFFAR4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0865421-B1 | ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS | GLAXO GROUP LTD (GB) | 2002-03-27 | — | — | EP | disclosed |
| US-6048872-A | DIETETICS; ANTIDIABETIC AGENTS; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS | GLAXO WELLCOME INC. (US) | 2000-04-11 | — | — | US | disclosed |
| EP-0865421-A1 | ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS | GLAXO GROUP LIMITED (GB) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997021665-A1 | ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS | GLAXO GROUP LIMITED (GB) | 1997-06-19 | — | — | WO | disclosed |