Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.56 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.56 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.56 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.56 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | DRD1 | P21728 | 1/20 | 0.56 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.56 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.56 |
| ▸ | DRD3 | P35462 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13077000 | 0.90 | HTR1A (0.56) | HTR1ACYP2D6SLC6A2SLC6A4KCNH2 | |
| SCHEMBL13040107 | 0.86 | HTR1A (0.55) | HTR1ACYP2D6SLC6A2SLC6A4KCNH2 | |
| SCHEMBL14571131 | 0.86 | HTR1A (0.55) | HTR1ACYP2D6SLC6A2SLC6A4KCNH2 | |
| SCHEMBL13077004 | 0.85 | ADRA2A (0.43) | HTR1ACYP2D6SLC6A2SLC6A4KCNH2 | |
| SCHEMBL13077006 | 0.83 | HTR1A (0.56) | HTR1ACYP2D6SLC6A2SLC6A4KCNH2 | |
| SCHEMBL13077521 | 0.79 | ADRB2 (0.58) | HTR1ACYP2D6SLC6A2SLC6A4KCNH2 | |
| SCHEMBL9798746 | 0.78 | HTR1A (0.62) | HTR1ACYP2D6SLC6A2SLC6A4KCNH2 | |
| SCHEMBL13040106 | 0.78 | HTR1A (0.55) | HTR1ACYP2D6SLC6A2SLC6A4KCNH2 | |
| SCHEMBL13077516 | 0.76 | HTR1A (0.50) | HTR1ACYP2D6SLC6A2SLC6A4KCNH2 | |
| SCHEMBL10733244 | 0.76 | ADRA2A (0.71) | HTR1ACYP2D6SLC6A2SLC6A4KCNH2 |
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 |