Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | RECQL | P46063 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | GRM8 | O00222 | 1/20 | 0.50 |
| ▸ | GRM6 | O15303 | 1/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 2/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.49 |
| ▸ | MAOA | P21397 | 1/20 | 0.48 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10341513 | 1.00 | CYP2D6 (0.54) | CYP2D6CYP2C9CYP2C19RECQLTSHR | |
| SCHEMBL1204526 | 1.00 | CYP2D6 (0.54) | CYP2D6CYP2C9CYP2C19RECQLTSHR | |
| SCHEMBL1204525 | 1.00 | CYP2D6 (0.54) | CYP2D6CYP2C9CYP2C19RECQLTSHR | |
| SCHEMBL15563108 | 0.88 | TSHR (0.53) | CYP2D6CYP2C9CYP2C19RECQLTSHR | |
| SCHEMBL30514028 | 0.87 | EPHX1 (0.54) | CYP2D6CYP2C9CYP2C19RECQLTSHR | |
| SCHEMBL2830701 | 0.86 | TSHR (0.57) | CYP2D6CYP2C9CYP2C19RECQLTSHR | |
| SCHEMBL4658039 | 0.85 | CYP2D6 (0.52) | CYP2D6CYP2C9CYP2C19RECQLTSHR | |
| SCHEMBL30811232 | 0.84 | TSHR (0.51) | CYP2D6CYP2C9CYP2C19RECQLTSHR | |
| SCHEMBL29179989 | 0.84 | TSHR (0.51) | CYP2D6CYP2C9CYP2C19RECQLTSHR | |
| SCHEMBL1096002 | 0.83 | TSHR (0.54) | CYP2D6CYP2C9CYP2C19RECQLTSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2254860-A1 | DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR | Almirall, S.A. (ES) | 2010-12-01 | — | — | EP | disclosed |
| WO-2009106351-A1 | DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL) PHENOL AS AGONISTS OF THE B2 ADRENERGIC RECEPTOR | ALMIRALL, S.A. (ES) | 2009-09-03 | — | — | WO | disclosed |
| EP-2096105-A1 | Derivatives of 4-(2-amino-1-hydroxyethyl)phenol as agonists of the b2 adrenergic receptor | Laboratorios Almirall, S.A. (ES) | 2009-09-02 | — | — | EP | disclosed |