Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 6/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.47 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | CYP2J2 | P51589 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.42 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.41 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11075117 | 0.83 | ACACB (0.47) | ADRB2ADRB1TDP1ALDH1A1LMNA | |
| SCHEMBL10928948 | 0.82 | HTT (0.50) | ADRB2ADRB1MEN1ALDH1A1KMT2A | |
| SCHEMBL15275621 | 0.80 | ADRB1 (0.66) | ADRB2ADRB1NR3C1CYP2D6ADRA1A | |
| SCHEMBL7215333 | 0.80 | ADRB1 (0.66) | ADRB2ADRB1NR3C1CYP2D6ADRA1A | |
| SCHEMBL12517335 | 0.79 | MMP12 (0.53) | ADRB2ADRB1ACACBADRB3MMP12 | |
| SCHEMBL12516202 | 0.77 | MMP12 (0.49) | ADRB2ADRB1NR3C1CYP2D6ADRA1A | |
| SCHEMBL23269496 | 0.75 | NR3C1 (0.43) | ADRB2ADRB1NR3C1CYP2D6ADRA1A | |
| SCHEMBL11100113 | 0.75 | PPARA (0.40) | ADRB2ADRB1S1PR1ACACBADRB3 | |
| SCHEMBL2982877 | 0.75 | ACACB (0.42) | ADRB2ADRB1NR3C1CYP2D6ADRA1A | |
| SCHEMBL13694234 | 0.74 | MEN1 (0.48) | ADRB2ADRB1NR3C1CYP2D6ADRA1A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0030030-A1 | Derivatives of 2-aminoethanol, processes for their preparation, pharmaceutical compositions containing such compounds and the use the latter | CIBA-GEIGY AG (CH) | 1981-06-10 | — | — | EP | disclosed |