Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 3/20 | 0.60 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.60 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.54 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.51 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | CASR | P41180 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11860104 | 0.87 | ADRB2 (0.75) | ADRB2ADRB1ADRB3CYP2D6KMT2A | |
| SCHEMBL7310724 | 0.86 | CYP2D6 (0.56) | ADRB2ADRB1ADRB3CYP2D6KMT2A | |
| SCHEMBL7316623 | 0.86 | CASR (0.66) | ADRB2ADRB3CYP2D6CASR | |
| SCHEMBL7307918 | 0.84 | CYP2D6 (0.76) | ADRB2ADRB1ADRB3CYP2D6KMT2A | |
| SCHEMBL7319792 | 0.81 | CYP2D6 (0.60) | ADRB2ADRB1ADRB3CYP2D6KMT2A | |
| SCHEMBL10789218 | 0.80 | CYP2D6 (0.68) | ADRB2ADRB1ADRB3CYP2D6KMT2A | |
| SCHEMBL10363325 | 0.80 | CYP2D6 (0.68) | ADRB2ADRB1ADRB3CYP2D6KMT2A | |
| SCHEMBL7310090 | 0.80 | ADRB2 (0.74) | ADRB2ADRB1ADRB3CYP2D6KMT2A | |
| SCHEMBL7318192 | 0.79 | CYP2D6 (0.47) | ADRB2ADRB1ADRB3CYP2D6KMT2A | |
| SCHEMBL7313076 | 0.79 | CYP2D6 (0.47) | ADRB2ADRB1ADRB3CYP2D6KMT2A |
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 |