Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.62 |
| ▸ | ADRB2 | P07550 | 10/20 | 0.59 |
| ▸ | ADRB1 | P08588 | 9/20 | 0.59 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.58 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | HTR1A | P08908 | 2/20 | 0.57 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.57 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.57 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.57 |
| ▸ | HTR2A | P28223 | 1/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.49 |
| ▸ | BDKRB2 | P30411 | 1/20 | 0.49 |
| ▸ | HTR2B | P41595 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL11513676 | 0.90 | CYP2D6 (0.50) | CYP2D6ADRB2ADRB1ADRB3LMNA | |
| SCHEMBL7307918 | 0.86 | CYP2D6 (0.76) | CYP2D6ADRB2ADRB1ADRB3LMNA | |
| SCHEMBL7310724 | 0.85 | CYP2D6 (0.56) | CYP2D6ADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL7315722 | 0.83 | CASR (0.59) | CYP2D6ADRB2ADRB3SLC6A4SLC6A2 | |
| SCHEMBL7312172 | 0.81 | ADRB3 (0.55) | ADRB2ADRB1ADRB3 | |
| SCHEMBL11854073 | 0.78 | CYP2D6 (1.00) | CYP2D6ADRB2ADRB1ADRB3LMNA | |
| SCHEMBL7317757 | 0.77 | ADRB2 (0.68) | ADRB2ADRB1ADRB3HTR1ASLC6A4 | |
| SCHEMBL5351511 | 0.77 | CYP2D6 (0.73) | CYP2D6ADRB2ADRB1LMNACYP1A2 | |
| SCHEMBL5852432 | 0.77 | CYP2D6 (0.73) | CYP2D6ADRB2ADRB1LMNACYP1A2 | |
| SCHEMBL7317744 | 0.77 | ADRB2 (0.74) | CYP2D6ADRB2ADRB1ADRB3LMNA |
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 |