Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB3 | P13945 | 20/20 | 0.70 |
| ▸ | ADRB1 | P08588 | 12/20 | 0.65 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.65 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.44 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7993957 | 1.00 | ADRB3 (0.70) | ADRB3ADRB1ADRB2CYP2D6SLC6A4 | |
| SCHEMBL7997015 | 0.84 | ADRB3 (0.77) | ADRB3ADRB1ADRB2CYP2D6SLC6A4 | |
| SCHEMBL7997011 | 0.84 | ADRB3 (0.77) | ADRB3ADRB1ADRB2CYP2D6SLC6A4 | |
| SCHEMBL7992984 | 0.84 | ADRB3 (0.73) | ADRB3ADRB1ADRB2CYP2D6SLC6A4 | |
| SCHEMBL7996813 | 0.84 | ADRB1 (0.59) | ADRB3ADRB1ADRB2 | |
| SCHEMBL7996817 | 0.84 | ADRB1 (0.59) | ADRB3ADRB1ADRB2 | |
| SCHEMBL7992994 | 0.84 | ADRB3 (0.73) | ADRB3ADRB1ADRB2CYP2D6SLC6A4 | |
| Mirabegron SCHEMBL904788 | 0.82 | ADRB3 (1.00) | ADRB3ADRB1ADRB2CYP2D6SLC6A4 | |
| Mirabegron SCHEMBL805237 | 0.82 | ADRB3 (1.00) | ADRB3ADRB1ADRB2CYP2D6SLC6A4 | |
| Mirabegron SCHEMBL904789 | 0.82 | ADRB3 (1.00) | ADRB3ADRB1ADRB2CYP2D6SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-6291491-B1 | TREATMENT OF TYPE II DIABETES AND OBESITY; ANTIDEPRESSANTS; DECREASE GUT MOTILITY. | MERCK & CO., INC. | 2001-09-18 | — | — | US | disclosed |