Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 14/20 | 0.75 |
| ▸ | ADRB2 | P07550 | 12/20 | 0.75 |
| ▸ | ADRB1 | P08588 | 9/20 | 0.75 |
| ▸ | GLA | P06280 | 1/20 | 0.75 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.74 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.74 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.74 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.74 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.74 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.74 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.74 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.69 |
| ▸ | SLC2A1 | P11166 | 4/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL9812024 | 0.95 | ADRB3 (0.84) | ADRB3ADRB2ADRB1GLACYP2D6 | |
| SCHEMBL9436811 | 0.95 | ADRB3 (0.84) | ADRB3ADRB2ADRB1GLACYP2D6 | |
| SCHEMBL9812022 | 0.95 | ADRB3 (0.84) | ADRB3ADRB2ADRB1GLACYP2D6 | |
| Trifluoroacetic Acid SCHEMBL9318455 | 0.92 | ADRB3 (0.89) | ADRB3ADRB2ADRB1GLACYP2D6 | |
| SCHEMBL9318232 | 0.87 | ADRB3 (0.61) | ADRB3ADRB2ADRB1GLACYP2D6 | |
| SCHEMBL5144151 | 0.86 | ADRB3 (1.00) | ADRB3ADRB2ADRB1GLACYP2D6 | |
| SCHEMBL4611391 | 0.86 | ADRB3 (1.00) | ADRB3ADRB2ADRB1GLACYP2D6 | |
| SCHEMBL5144149 | 0.86 | ADRB3 (1.00) | ADRB3ADRB2ADRB1GLACYP2D6 | |
| SCHEMBL9006835 | 0.86 | ADRB3 (1.00) | ADRB3ADRB2ADRB1GLACYP2D6 | |
| SCHEMBL5144153 | 0.86 | ADRB3 (1.00) | ADRB3ADRB2ADRB1GLACYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5347037-A | (RR) and (RS stereoisomers of N-(7-ethoxycarbonylmethoxy-1,2,3,-tetrahydronaphth-2-yl)-2-(3-chlorophenyl)-2-hydroxyethanamine and their pharmaceutically acceptable salts | SANOFI (FR) | 1994-09-13 | — | — | US | disclosed |
| US-5041606-A | Process for the O-alkylation of N-(hydroxy)aralkylphenylethanolamines | SANOFI | 1991-08-20 | — | — | US | disclosed |
| US-4927955-A | Process for the O-alkylation of N-(hydroxy)aralkylphenylethanolamines | SANOFI (FR) | 1990-05-22 | — | — | US | disclosed |