Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 8/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3960309 | 0.86 | CYP2D6 (0.46) | CYP2D6CYP3A4CYP2C19MAPK1MEN1 | |
| SCHEMBL30690023 | 0.80 | CYP2D6 (0.44) | CYP2D6CYP3A4CYP2C19MAPK1MEN1 | |
| SCHEMBL6350479 | 0.80 | CYP2C19 (0.33) | CYP2C19 | |
| SCHEMBL30690046 | 0.79 | CYP2D6 (0.43) | CYP2D6CYP3A4CYP2C19MAPK1MEN1 | |
| SCHEMBL31465708 | 0.79 | JAK2 (0.43) | CYP2D6CYP3A4CYP2C19MAPK1MEN1 | |
| SCHEMBL30690043 | 0.78 | CYP2D6 (0.42) | CYP2D6CYP3A4CYP2C19MAPK1MEN1 | |
| SCHEMBL30690022 | 0.76 | CYP2D6 (0.41) | CYP2D6CYP3A4CYP2C19MAPK1MEN1 | |
| SCHEMBL31143203 | 0.74 | CYP3A4 (0.49) | CYP2D6CYP3A4CYP2C19MAPK1MEN1 | |
| SCHEMBL30562146 | 0.74 | FFAR3 (0.50) | CYP2D6CYP3A4CYP2C19MAPK1MEN1 | |
| SCHEMBL4129353 | 0.73 | PKM (0.48) | USP2HPGD |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2013197-A1 | PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS | AstraZeneca AB (SE) | 2009-01-14 | — | — | EP | disclosed |
| WO-2007102771-A1 | PHENETHANOLAMINE DERIVATIVES AS BETA2 ADRENORECEPTOR AGONISTS | ASTRAZENECA AB (SE) | 2007-09-13 | — | — | WO | disclosed |