Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.58 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.56 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.56 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | CASR | P41180 | 2/20 | 0.54 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.53 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.53 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.51 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.51 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.51 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.51 |
| ▸ | NPY1R | P25929 | 1/20 | 0.50 |
| ▸ | NPY2R | P49146 | 1/20 | 0.50 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL10786534 | 1.00 | CYP2D6 (0.58) | CYP2D6ADRB2ADRB1ADRB3CA12 | |
| Fumaric Acid SCHEMBL10363331 | 0.93 | CYP2D6 (0.54) | CYP2D6ADRB2ADRB1ADRB3CA12 | |
| Fumaric Acid SCHEMBL10363329 | 0.93 | CYP2D6 (0.54) | CYP2D6ADRB2ADRB1ADRB3CA12 | |
| Maleic Acid SCHEMBL10363327 | 0.93 | CYP2D6 (0.54) | CYP2D6ADRB2ADRB1ADRB3CA12 | |
| SCHEMBL10363360 | 0.89 | CYP2D6 (0.56) | CYP2D6ADRB2ADRB1ADRB3CA12 | |
| SCHEMBL10750728 | 0.88 | CYP2D6 (0.55) | CYP2D6ADRB2ADRB1ADRB3CA12 | |
| SCHEMBL13204483 | 0.84 | ADRB1 (0.73) | CYP2D6ADRB2ADRB1NR3C1ADRA1A | |
| SCHEMBL10732729 | 0.82 | CYP2D6 (0.67) | CYP2D6ADRB2ADRB1ADRB3CA12 | |
| SCHEMBL10363672 | 0.81 | CYP2D6 (0.61) | CYP2D6ADRB2ADRB1ADRB3CA12 | |
| SCHEMBL10365218 | 0.81 | ADRB2 (0.62) | CYP2D6ADRB2ADRB1ADRB3CA12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0221788-B1 | OCULOSELECTIVE BETA-BLOCKERS AND OPHTHALMIC FORMULATIONS CONTAINING THEM | MERCK & CO. INC. (US) | 1990-05-23 | — | — | EP | claimed |
| EP-0221788-A1 | Oculoselective beta-blockers and ophthalmic formulations containing them | MERCK & CO. INC. (US) | 1987-05-13 | — | — | EP | claimed |
| US-4665094-A | GLAUCOMA | MERCK & CO., INC. (US) | 1987-05-12 | — | — | US | claimed |