Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of (S)-Metoprolol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB1 known ✓ | P08588 | 3/20 | 0.72 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.72 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.72 |
| ▸ | NPY1R | P25929 | 1/20 | 0.72 |
| ▸ | NPY2R | P49146 | 1/20 | 0.72 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.72 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.72 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.72 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.72 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.72 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.72 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.61 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.61 |
| ▸ | APEX1 | P27695 | 1/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
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 | |
|---|---|---|---|---|
| (S)-Metoprolol SCHEMBL7274540 | 1.00 | TDP1 (0.72) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| Metoprolol SCHEMBL9636584 | 1.00 | TDP1 (0.72) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| Metoprolol SCHEMBL7274530 | 1.00 | TDP1 (0.72) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| Metoprolol SCHEMBL123230 | 0.92 | ADRB2 (0.82) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| (S)-Metoprolol SCHEMBL123231 | 0.92 | ADRB2 (0.82) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| Metoprolol SCHEMBL10634188 | 0.88 | ADRB2 (0.75) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| Metoprolol SCHEMBL3123840 | 0.86 | ADRB2 (0.88) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| (S)-Metoprolol SCHEMBL3123844 | 0.86 | ADRB2 (0.88) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| Betaxolol SCHEMBL7258551 | 0.85 | LMNA (0.76) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| Metoprolol SCHEMBL1561123 | 0.85 | ADRB1 (1.00) | TDP1PMP22NPY1RNPY2RNPSR1 |
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-0339006-B1 | PROCESS FOR PREPARING S-METOPROLOL AND INTERMEDIATES THEREFOR | Astra Pharmaceutical Production AB (SE) | 1992-07-08 | — | — | EP | disclosed |
| US-5034535-A | Multistage reaction with chloroformate ester and isopropylamino-1,2-propanediol for cyclization, sulfonation and etherification | ASTRA PHARMACEUTICAL PRODUCTION AKTIEBOLAG (SE) | 1991-07-23 | — | — | US | disclosed |
| EP-0339006-A1 | Process for preparing S-metoprolol and intermediates therefor | Astra Pharmaceutical Production AB (SE) | 1989-10-25 | — | — | EP | disclosed |