Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 4/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 2/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 7/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 6/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 5/20 | 0.36 |
| ▸ | ADRA2B | P18089 | 5/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 5/20 | 0.36 |
| ▸ | ADRA1B | P35368 | 5/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.36 |
| ▸ | HTR7 | P34969 | 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 | |
|---|---|---|---|---|
| SCHEMBL1668322 | 0.94 | S1PR1 (0.40) | CHRM5CHRM1CHRM3OPRM1OPRD1 | |
| SCHEMBL1668325 | 0.89 | OPRM1 (0.42) | CHRM5CHRM1CHRM3OPRM1OPRD1 | |
| SCHEMBL12801191 | 0.89 | CHRM5 (0.46) | CHRM5CHRM1CHRM3OPRM1OPRD1 | |
| SCHEMBL1668476 | 0.85 | CYP2D6 (0.46) | CHRM5CHRM1CHRM3OPRM1OPRD1 | |
| SCHEMBL12800404 | 0.84 | CHRM5 (0.40) | CHRM5CHRM1CHRM3OPRM1S1PR5 | |
| SCHEMBL1668720 | 0.83 | CHRM5 (0.43) | CHRM5CHRM1CHRM3OPRM1OPRD1 | |
| SCHEMBL16499371 | 0.82 | HTR7 (0.41) | OPRM1OPRD1OPRK1ADRA1AADRA1D | |
| SCHEMBL1668419 | 0.82 | RXRA (0.38) | CHRM5CHRM1CHRM3OPRM1OPRD1 | |
| SCHEMBL12801256 | 0.81 | L3MBTL1 (0.35) | OPRM1OPRD1OPRK1 | |
| SCHEMBL1668756 | 0.81 | OPRD1 (0.48) | OPRM1OPRD1OPRK1 |
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 |