Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPY1R | P25929 | 1/20 | 0.39 |
| ▸ | NPY2R | P49146 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 3/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 3/20 | 0.39 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 3/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | TLR2 | O60603 | 1/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13077544 | 0.92 | ADRB2 (0.45) | TDP1CYP2D6ADRB2ADRB1HTR2A | |
| SCHEMBL13077488 | 0.87 | ADRB2 (0.48) | NPY1RNPY2RPMP22NPSR1TDP1 | |
| SCHEMBL13040109 | 0.86 | NPY1R (0.37) | NPY1RNPY2RPMP22NPSR1TDP1 | |
| SCHEMBL13077486 | 0.84 | NPY1R (0.38) | NPY1RNPY2RPMP22NPSR1TDP1 | |
| SCHEMBL13077706 | 0.84 | ADRB2 (0.42) | CYP2D6ADRB2ADRB1HTR2AADRB3 | |
| SCHEMBL13077582 | 0.83 | ADRB1 (0.54) | NPY1RNPY2RPMP22NPSR1TDP1 | |
| SCHEMBL13040066 | 0.79 | ADRB2 (0.43) | CYP2D6ADRB2ADRB1HTR2ATLR2 | |
| SCHEMBL13077519 | 0.78 | ADRB2 (0.43) | CYP2D6ADRB2ADRB1HTR2APSMB5 | |
| SCHEMBL13077340 | 0.76 | NR2E1 (0.39) | CYP2D6ADRB2ADRB1ADRA1AHTR2A | |
| SCHEMBL13077537 | 0.76 | ADRB2 (0.60) | NPY1RNPY2RPMP22NPSR1TDP1 |
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 |