Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 16/20 | 0.71 |
| ▸ | ADRB2 | P07550 | 14/20 | 0.71 |
| ▸ | ADRB1 | P08588 | 10/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.71 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.71 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.71 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.71 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | GLA | P06280 | 1/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.63 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.63 |
| ▸ | SLC2A1 | P11166 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8976358 | 1.00 | ADRB3 (0.71) | ADRB3ADRB2ADRB1CYP2D6ADRA1D | |
| SCHEMBL8976357 | 0.91 | ADRB3 (0.68) | ADRB3ADRB2ADRB1CYP2D6ADRA1D | |
| SCHEMBL8402067 | 0.91 | ADRB3 (0.72) | ADRB3ADRB2ADRB1CYP2D6ADRA1D | |
| SCHEMBL8402448 | 0.91 | ADRB3 (0.72) | ADRB3ADRB2ADRB1CYP2D6ADRA1D | |
| SCHEMBL8402209 | 0.88 | ADRB3 (0.69) | ADRB3ADRB2ADRB1CYP2D6ADRA1D | |
| Fumaric Acid SCHEMBL8406987 | 0.88 | ADRB3 (0.65) | ADRB3ADRB2ADRB1CYP2D6ADRA1D | |
| Fumaric Acid SCHEMBL8406993 | 0.88 | ADRB3 (0.65) | ADRB3ADRB2ADRB1CYP2D6ADRA1D | |
| Fumaric Acid SCHEMBL8911242 | 0.88 | ADRB3 (0.65) | ADRB3ADRB2ADRB1CYP2D6ADRA1D | |
| Fumaric Acid SCHEMBL8406896 | 0.88 | ADRB3 (0.65) | ADRB3ADRB2ADRB1CYP2D6ADRA1D | |
| SCHEMBL8402065 | 0.86 | ADRB3 (0.70) | ADRB3ADRB2ADRB1CYP2D6ADRA1D |
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-0706386-A1 | USE OF PHENETHANOLAMINE DERIVATIVES IN THE TREATMENT OF GASTROINTESTINAL DISORDERS | GLAXO GROUP LIMITED (GB) | 1996-04-17 | — | — | EP | disclosed |
| WO-1995001170-A2 | USE OF PHENETHANOLAMINE DERIVATIVES IN THE TREATMENT OF GASTROINTESTINAL DISORDERS | GLAXO GROUP LIMITED (GB) | 1995-01-12 | — | — | WO | disclosed |