Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NUDT1 | P36639 | 1/20 | 0.42 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | QDPR | P09417 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 3/20 | 0.39 |
| ▸ | THRA | P10827 | 2/20 | 0.39 |
| ▸ | APP | P05067 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | HTR1D | P28221 | 1/20 | 0.36 |
| ▸ | HTR1B | P28222 | 1/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.36 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1668329 | 0.90 | NUDT1 (0.40) | NUDT1BACE1THRBTHRAAPP | |
| SCHEMBL1668679 | 0.88 | APP (0.40) | NUDT1BACE1THRBTHRAAPP | |
| SCHEMBL12801311 | 0.76 | NUDT1 (0.43) | NUDT1BACE1THRBTHRAAPP | |
| SCHEMBL16499437 | 0.76 | BACE1 (0.71) | NUDT1BACE1QDPRMAPTBLM | |
| SCHEMBL12801191 | 0.75 | CHRM5 (0.46) | APPCHRM5CHRM1CHRM3 | |
| SCHEMBL1668475 | 0.73 | FFAR4 (0.47) | APPCHRM5CHRM1CHRM3S1PR1 | |
| SCHEMBL7794845 | 0.73 | NUDT1 (0.67) | NUDT1BACE1THRBTHRAS1PR1 | |
| SCHEMBL16499122 | 0.71 | ALDH1A1 (0.44) | NUDT1BACE1QDPRTHRBTHRA | |
| SCHEMBL12800404 | 0.71 | CHRM5 (0.40) | APPCHRM5CHRM1CHRM3S1PR1 | |
| SCHEMBL1668720 | 0.71 | CHRM5 (0.43) | CHRM5CHRM1CHRM3S1PR1 |
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 |