Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 12/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTR1B | P28222 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13077527 | 0.88 | HTR1A (0.57) | HTR1AADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL13040093 | 0.87 | HTR1A (0.42) | HTR1AADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL13077340 | 0.86 | NR2E1 (0.39) | HTR1AADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL13077524 | 0.85 | HTR1A (0.43) | HTR1AADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL13077528 | 0.76 | HTR1A (0.56) | HTR1AADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL14571129 | 0.75 | HTR1A (0.41) | HTR1AADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL13077496 | 0.75 | HTR1A (0.43) | HTR1AADRB2ADRB1ADRB3CYP1A2 | |
| SCHEMBL13077529 | 0.73 | NPY1R (0.39) | ADRB2ADRB1ADRB3CYP2D6ADRA1A | |
| SCHEMBL13040039 | 0.73 | NR2E1 (0.37) | ADRB2ADRB1ADRB3CYP1A2HTR1B | |
| SCHEMBL13077578 | 0.73 | HTR1A (0.55) | HTR1AADRB2ADRB1ADRB3CYP1A2 |
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 |