Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 4/20 | 0.40 |
| ▸ | S1PR5 | Q9H228 | 3/20 | 0.40 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.39 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.39 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 8/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 7/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 7/20 | 0.37 |
| ▸ | ADRA2C | P18825 | 7/20 | 0.37 |
| ▸ | ADRA1D | P25100 | 7/20 | 0.37 |
| ▸ | ADRA1B | P35368 | 7/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | HTR7 | P34969 | 2/20 | 0.36 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1668281 | 0.94 | CHRM5 (0.39) | S1PR1S1PR5S1PR3OPRM1OPRD1 | |
| SCHEMBL1668720 | 0.90 | CHRM5 (0.43) | S1PR1S1PR5S1PR3OPRM1OPRD1 | |
| SCHEMBL16499371 | 0.85 | HTR7 (0.41) | OPRM1OPRD1OPRK1KCNA3ADRA1A | |
| SCHEMBL1668599 | 0.85 | RXRA (0.38) | S1PR1S1PR5S1PR3OPRM1CHRM5 | |
| SCHEMBL12800427 | 0.84 | OPRM1 (0.36) | OPRM1OPRD1OPRK1KCNA3HRH3 | |
| SCHEMBL1668325 | 0.84 | OPRM1 (0.42) | S1PR1S1PR5S1PR3OPRM1OPRD1 | |
| SCHEMBL12801191 | 0.84 | CHRM5 (0.46) | OPRM1OPRD1OPRK1ADRA1ACHRM5 | |
| SCHEMBL1668476 | 0.79 | CYP2D6 (0.46) | S1PR1OPRM1OPRD1OPRK1HRH3 | |
| SCHEMBL12800404 | 0.79 | CHRM5 (0.40) | S1PR1S1PR5S1PR3OPRM1CHRM5 | |
| SCHEMBL12801256 | 0.78 | L3MBTL1 (0.35) | OPRM1OPRD1OPRK1HRH3TMEM97 |
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 |