Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.60 |
| ▸ | ADRB3 | P13945 | 8/20 | 0.56 |
| ▸ | ADRB2 | P07550 | 8/20 | 0.56 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.49 |
| ▸ | APEX1 | P27695 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.46 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7307918 | 0.89 | CYP2D6 (0.76) | CYP2D6ADRB3ADRB2ADRB1MEN1 | |
| SCHEMBL11513676 | 0.87 | CYP2D6 (0.50) | CYP2D6ADRB3ADRB2ADRB1MEN1 | |
| SCHEMBL7306755 | 0.81 | ADRB3 (0.80) | CYP2D6ADRB3ADRB2ADRB1MEN1 | |
| SCHEMBL7315332 | 0.81 | ADRB2 (0.60) | CYP2D6ADRB3ADRB2ADRB1MEN1 | |
| SCHEMBL11512576 | 0.80 | ADRB2 (0.60) | CYP2D6ADRB3ADRB2ADRB1LMNA | |
| SCHEMBL5351511 | 0.78 | CYP2D6 (0.73) | CYP2D6ADRB2ADRB1MEN1LMNA | |
| SCHEMBL5852432 | 0.78 | CYP2D6 (0.73) | CYP2D6ADRB2ADRB1MEN1LMNA | |
| SCHEMBL7313076 | 0.77 | CYP2D6 (0.47) | CYP2D6ADRB3ADRB2ADRB1MEN1 | |
| SCHEMBL7318192 | 0.77 | CYP2D6 (0.47) | CYP2D6ADRB3ADRB2ADRB1MEN1 | |
| SCHEMBL28403894 | 0.77 | ADRB2 (0.78) | CYP2D6ADRB3ADRB2ADRB1MEN1 |
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 |