Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | APP | P05067 | 3/20 | 0.35 |
| ▸ | RXRA | P19793 | 2/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 1/20 | 0.33 |
| ▸ | CYP26B1 | Q9NR63 | 1/20 | 0.33 |
| ▸ | THRA | P10827 | 2/20 | 0.32 |
| ▸ | THRB | P10828 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | TACR1 | P25103 | 1/20 | 0.32 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.32 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1668476 | 0.91 | CYP2D6 (0.46) | SMN1; SMN2CYP2D6APPRXRACHRM5 | |
| SCHEMBL12800404 | 0.89 | CHRM5 (0.40) | APPRXRACHRM5CHRM1CHRM3 | |
| SCHEMBL1668419 | 0.87 | RXRA (0.38) | CYP2D6APPRXRACHRM5CHRM1 | |
| SCHEMBL12801191 | 0.84 | CHRM5 (0.46) | APPRXRACHRM5CHRM1CHRM3 | |
| SCHEMBL1668599 | 0.83 | RXRA (0.38) | APPRXRACHRM5CHRM1CHRM3 | |
| SCHEMBL1668622 | 0.82 | OPRD1 (0.36) | APPOPRM1FFAR4 | |
| SCHEMBL1670818 | 0.82 | FFAR4 (0.37) | APPRXRACHRM5CHRM1CHRM3 | |
| SCHEMBL1668421 | 0.82 | FFAR4 (0.37) | APPRXRACHRM5CHRM1CHRM3 | |
| SCHEMBL1668325 | 0.82 | OPRM1 (0.42) | APPRXRACHRM5CHRM1CHRM3 | |
| SCHEMBL12800418 | 0.81 | OPRM1 (0.40) | APPRXRAOPRM1TACR1FFAR1 |
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 2 patents. 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 |
| WO-2011048409-A1 | CYCLIC AMINE DERIVATIVES HAVING BETA2 ADRENERGIC RECEPTOR AGONIST AND MUSCARINIC RECEPTOR ANTAGONIST ACTIVITY | ASTRAZENECA AB (SE) | 2011-04-28 | — | — | WO | disclosed |