Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR2E1 | Q9Y466 | 5/20 | 0.56 |
| ▸ | ADRB2 | P07550 | 7/20 | 0.52 |
| ▸ | ADRB1 | P08588 | 7/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.52 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | ADRB3 | P13945 | 4/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.52 |
| ▸ | HTR2B | P41595 | 3/20 | 0.52 |
| ▸ | HTR2A | P28223 | 3/20 | 0.52 |
| ▸ | HTR2C | P28335 | 3/20 | 0.52 |
| ▸ | HTR6 | P50406 | 3/20 | 0.52 |
| ▸ | HTR1B | P28222 | 3/20 | 0.52 |
| ▸ | SCN1A | P35498 | 2/20 | 0.52 |
| ▸ | SLC10A1 | Q14973 | 2/20 | 0.52 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.52 |
| ▸ | SCN3A | Q9NY46 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL13149112 | 0.89 | NR2E1 (0.61) | NR2E1ADRB2ADRB1CYP2D6SIGMAR1 | |
| SCHEMBL13149083 | 0.89 | NR2E1 (0.61) | NR2E1ADRB2ADRB1CYP2D6SIGMAR1 | |
| SCHEMBL13265580 | 0.88 | NR2E1 (0.57) | NR2E1ADRB2ADRB1CYP2D6SIGMAR1 | |
| SCHEMBL13077578 | 0.85 | HTR1A (0.55) | ADRB2ADRB1CYP2D6ALDH1A1ADRB3 | |
| SCHEMBL13040041 | 0.85 | NR2E1 (0.54) | NR2E1ADRB2ADRB1CYP2D6SIGMAR1 | |
| SCHEMBL13077344 | 0.83 | TSHR (0.40) | NR2E1ADRB2ADRB1CYP2D6SIGMAR1 | |
| SCHEMBL25587771 | 0.82 | NR2E1 (0.68) | NR2E1ADRB2ADRB1CYP2D6SIGMAR1 | |
| SCHEMBL13077335 | 0.81 | NR2E1 (0.56) | NR2E1ADRB2ADRB1CYP2D6SIGMAR1 | |
| SCHEMBL22354579 | 0.81 | NR2E1 (0.67) | NR2E1ADRB2ADRB1CYP2D6SIGMAR1 | |
| SCHEMBL14107149 | 0.78 | NR2E1 (0.63) | NR2E1ADRB2ADRB1CYP2D6SIGMAR1 |
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 |