Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.67 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.50 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.50 |
| ▸ | HTR1A | P08908 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 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 | |
|---|---|---|---|---|
| SCHEMBL11621070 | 0.91 | CYP2D6 (0.57) | CYP2D6ADRB2ADRB1HTR1APTGS1 | |
| SCHEMBL11623257 | 0.82 | ADRB2 (0.66) | CYP2D6ADRB2ADRB1HTR1ASLC6A2 | |
| SCHEMBL28680554 | 0.80 | CYP2D6 (1.00) | CYP2D6ADRB2ADRB1HTR1APTGS1 | |
| SCHEMBL28680552 | 0.80 | CYP2D6 (1.00) | CYP2D6ADRB2ADRB1HTR1APTGS1 | |
| Hydrochloric Acid SCHEMBL11231352 | 0.79 | CYP2D6 (0.98) | CYP2D6ADRB2ADRB1HTR1APTGS1 | |
| SCHEMBL28034239 | 0.77 | TRPA1 (0.55) | CYP2D6HTR1AADRA1A | |
| SCHEMBL11630842 | 0.76 | ADRB2 (0.53) | CYP2D6ADRB2ADRB1PTGS1SLC6A2 | |
| SCHEMBL30001731 | 0.75 | ADRB2 (0.49) | CYP2D6ADRB2ADRB1HTR1APTGS1 | |
| SCHEMBL20552698 | 0.75 | ADRB2 (0.49) | CYP2D6ADRB2ADRB1HTR1APTGS1 | |
| Hydrochloric Acid SCHEMBL11148148 | 0.74 | ADRB2 (0.51) | CYP2D6ADRB2ADRB1PTGS1SLC6A2 |
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-4073909-A | ADRENERGIC BLOCKING AGENTS, HYPOGLYCEMIC AGENTS, ANTILIPEMIC AGENTS | SANDOZ LTD. (CH) | 1978-02-14 | — | — | US | claimed |
| US-4073909-A | ADRENERGIC BLOCKING AGENTS, HYPOGLYCEMIC AGENTS, ANTILIPEMIC AGENTS | SANDOZ LTD. (CH) | 1978-02-14 | — | — | US | disclosed |