Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 3/20 | 0.37 |
| ▸ | THRA | P10827 | 2/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.35 |
| ▸ | FFAR4 | Q5NUL3 | 4/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1668679 | 0.81 | APP (0.40) | NUDT1BACE1THRBTHRAFFAR4 | |
| SCHEMBL12801245 | 0.77 | CYP3A4 (0.32) | NUDT1BACE1 | |
| SCHEMBL1670905 | 0.76 | NUDT1 (0.42) | NUDT1BACE1THRBTHRAFFAR4 | |
| SCHEMBL1668329 | 0.76 | NUDT1 (0.40) | NUDT1BACE1THRBTHRAS1PR1 | |
| SCHEMBL7794845 | 0.73 | NUDT1 (0.67) | NUDT1BACE1THRBTHRAPTGDR2 | |
| SCHEMBL1668421 | 0.72 | FFAR4 (0.37) | FFAR4APPALDH1A1 | |
| SCHEMBL9556878 | 0.71 | NUDT1 (0.53) | NUDT1BACE1THRBTHRAPTGDR2 | |
| SCHEMBL1670818 | 0.69 | FFAR4 (0.37) | FFAR4APP | |
| SCHEMBL10595253 | 0.68 | NUDT1 (0.77) | NUDT1BACE1THRBTHRA | |
| SCHEMBL10596917 | 0.68 | NUDT1 (0.77) | NUDT1BACE1THRBTHRA |
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-2011048409-A1 | CYCLIC AMINE DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | ASTRAZENECA AB (SE) | 2011-04-28 | — | — | WO | disclosed |