Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | PSMB5 | P28074 | 7/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.35 |
| ▸ | HTR2A | P28223 | 3/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL13077486 | 0.91 | NPY1R (0.38) | ADRB2ADRB1PSMB5CYP2D6HTR2A | |
| SCHEMBL13077539 | 0.88 | ADRB2 (0.53) | ADRB2ADRB1PSMB5CYP2D6 | |
| SCHEMBL13040064 | 0.87 | ADRB2 (0.41) | ADRB2ADRB1PSMB5CYP2D6HTR2A | |
| SCHEMBL13077544 | 0.86 | ADRB2 (0.45) | ADRB2ADRB1CYP2D6HTR2A | |
| SCHEMBL13077538 | 0.85 | ADRB1 (0.58) | ADRB2ADRB1CYP2D6 | |
| SCHEMBL13077708 | 0.84 | ADRB2 (0.43) | ADRB2ADRB1PSMB5 | |
| SCHEMBL13077520 | 0.80 | ADRB2 (0.53) | ADRB2ADRB1PSMB5 | |
| SCHEMBL13040113 | 0.78 | NPY1R (0.36) | ADRB2ADRB1PSMB5CYP2D6HTR2A | |
| SCHEMBL13077487 | 0.78 | ADRB2 (0.47) | ADRB2ADRB1PSMB5CYP2D6 | |
| SCHEMBL13077529 | 0.78 | NPY1R (0.39) | ADRB2ADRB1PSMB5CYP2D6HTR2A |
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 |