Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASR | P41180 | 18/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.45 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7316623 | 0.90 | CASR (0.66) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7310724 | 0.89 | CYP2D6 (0.56) | CASRCYP2D6ADRB2ADRB3 | |
| SCHEMBL7306704 | 0.83 | CYP2D6 (0.62) | CYP2D6SLC6A2SLC6A4KCNH2ADRB2 | |
| SCHEMBL7317233 | 0.83 | CASR (0.59) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7312172 | 0.82 | ADRB3 (0.55) | ADRB2ADRB3 | |
| SCHEMBL14383031 | 0.81 | CASR (0.83) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL5510479 | 0.80 | CASR (0.81) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14383077 | 0.79 | CASR (0.78) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL7318229 | 0.78 | CASR (0.56) | CASRCYP2D6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11513676 | 0.78 | CYP2D6 (0.50) | CYP2D6SLC6A4ADRB2ADRB3 |
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 |