Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 7/20 | 0.58 |
| ▸ | ADRB1 | P08588 | 5/20 | 0.58 |
| ▸ | TSHR | P16473 | 2/20 | 0.58 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.58 |
| ▸ | RECQL | P46063 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 4/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | MLNR | O43193 | 1/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL13077521 | 0.90 | ADRB2 (0.58) | ADRB2ADRB1TSHRADRA1ARECQL | |
| SCHEMBL13040084 | 0.87 | ADRB2 (0.56) | ADRB2ADRB1TSHRADRA1ARECQL | |
| SCHEMBL13077531 | 0.85 | ADRB2 (0.43) | ADRB2ADRB1TSHRADRA1ARECQL | |
| SCHEMBL13077526 | 0.82 | ADRB2 (0.57) | ADRB2ADRB1TSHRADRA1ARECQL | |
| SCHEMBL13077000 | 0.79 | HTR1A (0.56) | ADRB2ADRB1ADRA1AMEN1KMT2A | |
| SCHEMBL13040080 | 0.78 | ADRB2 (0.56) | ADRB2ADRB1TSHRADRA1ARECQL | |
| SCHEMBL13077494 | 0.76 | ADRB2 (0.44) | ADRB2ADRB1TSHRADRA1ARECQL | |
| SCHEMBL13040076 | 0.74 | ADRB2 (0.55) | ADRB2ADRB1TSHRADRA1ARECQL | |
| R-Nadolol SCHEMBL17261862 | 0.74 | ADRB2 (1.00) | ADRB2ADRB1TSHRADRA1ARECQL | |
| R-Nadolol SCHEMBL6508581 | 0.74 | ADRB2 (1.00) | ADRB2ADRB1TSHRADRA1ARECQL |
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 |