Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 | P08588 | 3/20 | 0.56 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.56 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.56 |
| ▸ | NPY1R | P25929 | 1/20 | 0.55 |
| ▸ | NPY2R | P49146 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.55 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8746455 | 0.86 | NPY1R (0.53) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| SCHEMBL8892157 | 0.83 | ADRB1 (0.66) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| (S)-Metoprolol SCHEMBL8746469 | 0.82 | TDP1 (0.72) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| Metoprolol SCHEMBL8746466 | 0.82 | TDP1 (0.72) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| SCHEMBL2473791 | 0.82 | ADRB1 (0.65) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| SCHEMBL4456681 | 0.81 | NPY1R (0.67) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| SCHEMBL11320142 | 0.81 | ADRB1 (0.63) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| SCHEMBL9799095 | 0.81 | NPY1R (0.59) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| SCHEMBL20887451 | 0.79 | ADRB1 (0.61) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| SCHEMBL7286484 | 0.78 | NPY1R (0.75) | ADRB1ADRB2CYP2D6NR3C1ADRA1A |
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-0750608-A1 | PHARMACEUTICAL PRODUCT COMPRISING A SALICYLATE OF AN ESTERIFIABLE BETA-BLOCKER | CAL INTERNATIONAL LIMITED (IE) | 1997-01-02 | — | — | EP | disclosed |
| WO-1995020568-A1 | PHARMACEUTICAL PRODUCT COMPRISING A SALICYLATE OF AN ESTERIFIABLE BETA-BLOCKER | CAL INTERNATIONAL LIMITED (IE) | 1995-08-03 | — | — | WO | disclosed |