Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 6/20 | 0.71 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.71 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.71 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.71 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.71 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.71 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.66 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.65 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.65 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 2/20 | 0.62 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.62 |
| ▸ | CNR1 | P21554 | 1/20 | 0.62 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.62 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.62 |
| ▸ | GLA | P06280 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.62 |
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 | |
|---|---|---|---|---|
| SCHEMBL15159029 | 0.90 | ADRB2 (0.73) | ADRB2ADRB1CYP2D6ADRA1ANR3C1 | |
| SCHEMBL13148928 | 0.89 | ADRB2 (0.71) | ADRB2ADRB1CYP2D6ADRA1ANR3C1 | |
| SCHEMBL11652576 | 0.88 | ADRB2 (0.70) | ADRB2ADRB1CYP2D6ADRA1ANR3C1 | |
| SCHEMBL9798743 | 0.87 | ABCB1 (0.68) | ADRB2ADRB1CYP2D6ADRA1ANR3C1 | |
| SCHEMBL11855880 | 0.86 | ADRB2 (0.85) | ADRB2ADRB1CYP2D6ADRA1ANR3C1 | |
| SCHEMBL11652983 | 0.86 | ADRB2 (0.67) | ADRB2ADRB1CYP2D6ADRA1ANR3C1 | |
| SCHEMBL3462992 | 0.86 | ADRB2 (0.75) | ADRB2ADRB1CYP2D6ADRA1ANR3C1 | |
| SCHEMBL13204479 | 0.86 | ADRB2 (0.75) | ADRB2ADRB1CYP2D6ADRA1ANR3C1 | |
| SCHEMBL9452302 | 0.84 | ADRB2 (0.73) | ADRB2ADRB1CYP2D6ADRA1ANR3C1 | |
| SCHEMBL11651404 | 0.84 | ADRB2 (0.73) | ADRB2ADRB1CYP2D6ADRA1ANR3C1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118561702-A | Preparation process of esmolol hydrochloride | 湖南赛隆药业(长沙)有限公司 | 2024-08-30 | — | — | CN | disclosed |