Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 14/20 | 0.58 |
| ▸ | ADRB2 | P07550 | 7/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.48 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7319524 | 0.90 | CASR (0.60) | CASRADRB2ADRB3CYP2D6SLC6A2 | |
| SCHEMBL7313353 | 0.87 | MAPT (0.55) | ADRB2ADRB3CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL7318229 | 0.86 | CASR (0.56) | CASRADRB2ADRB3CYP2D6SLC6A2 | |
| SCHEMBL7318237 | 0.86 | CASR (0.56) | CASRADRB2ADRB3CYP2D6SLC6A2 | |
| SCHEMBL7308987 | 0.85 | ADRB2 (0.68) | CASRADRB2ADRB3CYP2D6SLC6A2 | |
| SCHEMBL7311038 | 0.85 | ADRB2 (0.56) | ADRB2ADRB3CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL7313132 | 0.83 | ADRB2 (0.65) | ADRB2ADRB3CYP2D6SLC6A2SLC6A4 | |
| SCHEMBL7317233 | 0.83 | CASR (0.59) | CASRADRB2ADRB3CYP2D6SLC6A2 | |
| SCHEMBL11511416 | 0.83 | CASR (0.59) | CASRADRB2ADRB3CYP2D6SLC6A2 | |
| SCHEMBL7307486 | 0.79 | CASR (0.60) | CASRADRB2ADRB3CYP2D6SLC6A2 |
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 |