Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 2/20 | 0.68 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.68 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.68 |
| ▸ | CASR | P41180 | 17/20 | 0.65 |
| ▸ | MEN1 | O00255 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | THRB | P10828 | 1/20 | 0.62 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.62 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.62 |
| ▸ | APEX1 | P27695 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.52 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL7310090 | 0.86 | ADRB2 (0.74) | ADRB2ADRB3ADRB1CASRMEN1 | |
| SCHEMBL7319712 | 0.85 | CASR (0.58) | ADRB2ADRB3ADRB1CASRCYP2D6 | |
| SCHEMBL11220414 | 0.85 | CASR (0.76) | ADRB2ADRB3ADRB1CASRCYP2D6 | |
| SCHEMBL7312146 | 0.84 | ADRB3 (0.69) | ADRB2ADRB3ADRB1MEN1LMNA | |
| SCHEMBL7316623 | 0.82 | CASR (0.66) | ADRB2ADRB3CASRCYP2D6SLC6A2 | |
| SCHEMBL11226824 | 0.82 | CASR (0.76) | ADRB2ADRB3CASRCYP2D6SLC6A2 | |
| SCHEMBL14383031 | 0.82 | CASR (0.83) | ADRB2ADRB3ADRB1CASRCYP2D6 | |
| Bisoprolol SCHEMBL6510329 | 0.81 | ADRB1 (1.00) | ADRB2ADRB3ADRB1MEN1LMNA | |
| Bisoprolol SCHEMBL20961 | 0.81 | ADRB1 (1.00) | ADRB2ADRB3ADRB1MEN1LMNA | |
| Bisoprolol SCHEMBL20960 | 0.81 | ADRB1 (1.00) | ADRB2ADRB3ADRB1MEN1LMNA |
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-4258062-A | ISOPRENALINE ANTAGONISTS EFFECTING HEART RATE AND BLOOD PRESSURE | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1981-03-24 | — | — | US | disclosed |
| US-4171370-A | Phenoxy-amino-propanols | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-10-16 | — | — | US | disclosed |