Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of 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 | 4/20 | 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 | 4/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.72 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.72 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.72 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.72 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.72 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.55 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.53 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.53 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
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 SCHEMBL8746469 | 1.00 | TDP1 (0.72) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| Betaxolol SCHEMBL26664817 | 0.86 | ADRB1 (0.75) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| Metoprolol SCHEMBL3123840 | 0.86 | ADRB2 (0.88) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| (S)-Metoprolol SCHEMBL3123844 | 0.86 | ADRB2 (0.88) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| (S)-Metoprolol SCHEMBL121589 | 0.85 | ADRB1 (1.00) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| Metoprolol SCHEMBL4093 | 0.85 | ADRB1 (1.00) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| Metoprolol SCHEMBL1561123 | 0.85 | ADRB1 (1.00) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| (R)-Metoprolol SCHEMBL40918 | 0.85 | ADRB1 (1.00) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| Metoprolol SCHEMBL23668766 | 0.84 | ADRB1 (0.84) | TDP1PMP22NPY1RNPY2RNPSR1 | |
| (S)-Metoprolol SCHEMBL379724 | 0.84 | ADRB1 (0.84) | 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 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 |