Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Esmolol. 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 | |
|---|---|---|---|---|
| ▸ | ADRB2 known ✓ | P07550 | 3/20 | 1.00 |
| ▸ | ADRB1 known ✓ | P08588 | 3/20 | 1.00 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.70 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.70 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.70 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.70 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.67 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.67 |
| ▸ | NPY1R | P25929 | 1/20 | 0.67 |
| ▸ | NPY2R | P49146 | 1/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.67 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.65 |
| ▸ | LMNA | P02545 | 2/20 | 0.65 |
| ▸ | CNR1 | P21554 | 1/20 | 0.65 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.65 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.65 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.65 |
| ▸ | GLA | P06280 | 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 | |
|---|---|---|---|---|
| Esmolol SCHEMBL3606 | 1.00 | ADRB2 (1.00) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| Esmolol SCHEMBL3607 | 1.00 | ADRB2 (1.00) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| Esmolol SCHEMBL3605 | 1.00 | ADRB2 (1.00) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| Esmolol SCHEMBL41088 | 0.99 | ADRB2 (0.97) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| Esmolol SCHEMBL41086 | 0.99 | ADRB2 (0.97) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| Esmolol SCHEMBL28687772 | 0.99 | ADRB2 (0.97) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| Esmolol SCHEMBL30039548 | 0.99 | ADRB2 (0.97) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| Esmolol SCHEMBL1649927 | 0.97 | ADRB2 (0.95) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| Esmolol SCHEMBL9751334 | 0.96 | ADRB2 (0.93) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 | |
| Esmolol SCHEMBL27879439 | 0.95 | ADRB2 (0.91) | ADRB2ADRB1ADRA1ANR3C1CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005099699-A1 | COMBINATION OF (S)-AMLODIPINE AND A BETA-BLOCKER, AND METHODS FOR REDUCING HYPERTENSION | SEPRACOR INC. (US) | 2005-10-27 | — | — | WO | disclosed |
| WO-2002051316-A1 | ASSESSMENT OF MYOCARDIAL CONTRACTILITY | REDINGTON ANDREW NICHOLAS (CA) | 2002-07-04 | — | — | WO | disclosed |