Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 3/20 | 0.48 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.48 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.48 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.48 |
| ▸ | NPY1R | P25929 | 1/20 | 0.48 |
| ▸ | NPY2R | P49146 | 1/20 | 0.48 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL13077487 | 0.87 | ADRB2 (0.47) | ADRB2ADRB1NR3C1CYP2D6ADRA1A | |
| SCHEMBL13077529 | 0.87 | NPY1R (0.39) | ADRB2ADRB1NR3C1CYP2D6ADRA1A | |
| SCHEMBL14571132 | 0.85 | ADRB2 (0.46) | ADRB2ADRB1NR3C1CYP2D6ADRA1A | |
| SCHEMBL13077711 | 0.83 | ADRB2 (0.52) | ADRB2ADRB1TDP1ABCB1ADRB3 | |
| SCHEMBL13077541 | 0.81 | ADRB2 (0.47) | ADRB2ADRB1NR3C1CYP2D6ADRA1A | |
| SCHEMBL11875628 | 0.80 | ADRB2 (0.53) | ADRB2ADRB1NR3C1CYP2D6ADRA1A | |
| SCHEMBL13077539 | 0.79 | ADRB2 (0.53) | ADRB2ADRB1NR3C1CYP2D6ADRA1A | |
| SCHEMBL13077544 | 0.78 | ADRB2 (0.45) | ADRB2ADRB1CYP2D6TDP1ABCB1 | |
| SCHEMBL13077520 | 0.76 | ADRB2 (0.53) | ADRB2ADRB1ABCB1MEN1KMT2A | |
| SCHEMBL11925292 | 0.75 | ADRB2 (0.64) | ADRB2ADRB1NR3C1CYP2D6ADRA1A |
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-7825263-B2 | Nitrooxyderivatives of carvedilol and other beta blockers as antihypertensive | NICOX S.A. (FR) | 2010-11-02 | — | — | US | disclosed |