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 | 0.97 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.97 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.97 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.97 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.97 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.97 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.97 |
| ▸ | NPY1R | P25929 | 1/20 | 0.82 |
| ▸ | NPY2R | P49146 | 1/20 | 0.82 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.82 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.82 |
| ▸ | LMNA | P02545 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 1/20 | 0.67 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.67 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.67 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | BLM | P54132 | 1/20 | 0.65 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.65 |
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 SCHEMBL6728301 | 1.00 | ADRB1 (0.97) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| Metoprolol SCHEMBL1561123 | 0.99 | ADRB1 (1.00) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| (R)-Metoprolol SCHEMBL40918 | 0.99 | ADRB1 (1.00) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| (S)-Metoprolol SCHEMBL121589 | 0.99 | ADRB1 (1.00) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| Metoprolol SCHEMBL4093 | 0.99 | ADRB1 (1.00) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| Metoprolol SCHEMBL28445291 | 0.97 | ADRB1 (0.97) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| (S)-Metoprolol SCHEMBL2638035 | 0.97 | ADRB1 (0.97) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| Metoprolol SCHEMBL6126034 | 0.97 | ADRB1 (0.97) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| Metoprolol SCHEMBL2638034 | 0.97 | ADRB1 (0.97) | ADRB1ADRB2CYP2D6NR3C1ADRA1A | |
| Metoprolol SCHEMBL27911917 | 0.97 | ADRB1 (0.97) | 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 |
|---|---|---|---|---|---|---|---|
| US-20040137062-A1 | Chronotherapy tablet and methods related thereto | CHOPRA SHAM | 2004-07-15 | — | — | US | claimed |
| US-20040137062-A1 | Chronotherapy tablet and methods related thereto | CHOPRA SHAM | 2004-07-15 | — | — | US | disclosed |