Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 3/20 | 0.80 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.80 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.74 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.74 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.74 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.74 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.74 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.71 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.71 |
| ▸ | NPY1R | P25929 | 1/20 | 0.71 |
| ▸ | NPY2R | P49146 | 1/20 | 0.71 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.71 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | CNR1 | P21554 | 1/20 | 0.59 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.59 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | GLA | P06280 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL11019746 | 0.93 | ADRB2 (0.71) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| Esmolol SCHEMBL611445 | 0.91 | ADRB2 (0.89) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| SCHEMBL11021053 | 0.91 | ADRB2 (0.77) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| Hydrochloric Acid SCHEMBL10841752 | 0.90 | ADRB2 (0.75) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| Esmolol SCHEMBL3607 | 0.89 | ADRB2 (1.00) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| Esmolol SCHEMBL3606 | 0.89 | ADRB2 (1.00) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| Esmolol SCHEMBL6509147 | 0.89 | ADRB2 (1.00) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| Esmolol SCHEMBL3605 | 0.89 | ADRB2 (1.00) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| SCHEMBL11020814 | 0.89 | ADRB2 (0.73) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| SCHEMBL11022108 | 0.88 | ADRB2 (0.80) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 |
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-0041491-A1 | New para-substituted 3-phenoxy-1-alkylamino-propanol-2-s having beta receptor blocking properties | Aktiebolaget Hässle (SE) | 1981-12-09 | — | — | EP | claimed |
| EP-0041491-B1 | NEW PARA-SUBSTITUTED 3-PHENOXY-1-ALKYLAMINO-PROPANOL-2-S HAVING BETA RECEPTOR BLOCKING PROPERTIES | Aktiebolaget Hässle (SE) | 1985-01-30 | — | — | EP | disclosed |
| EP-0041491-A1 | New para-substituted 3-phenoxy-1-alkylamino-propanol-2-s having beta receptor blocking properties | Aktiebolaget Hässle (SE) | 1981-12-09 | — | — | EP | disclosed |