Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5950028 | 0.81 | ADRB2 (0.37) | — | |
| SCHEMBL8907748 | 0.80 | POLB (0.36) | NPC1ALDH1A1NPSR1 | |
| SCHEMBL8901284 | 0.80 | ADRB3 (0.33) | S1PR3AOC3NPC1 | |
| SCHEMBL7714673 | 0.80 | S1PR3 (0.31) | S1PR3AOC3 | |
| SCHEMBL7714949 | 0.79 | — | — | |
| SCHEMBL5949917 | 0.79 | ADRB2 (0.36) | — | |
| SCHEMBL7714535 | 0.79 | — | — | |
| SCHEMBL8900331 | 0.79 | ITGB1 (0.31) | — | |
| SCHEMBL7709013 | 0.78 | NR1H2 (0.33) | — | |
| SCHEMBL5950124 | 0.77 | ADRB2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1997021666-A1 | ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS | GLAXO GROUP LIMITED (GB) | 1997-06-19 | — | — | WO | disclosed |