Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.43 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.39 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.39 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 4/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.38 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 2/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1670735 | 0.95 | CHRM5 (0.46) | FFAR4CHRM5CHRM1CHRM3FFAR1 | |
| SCHEMBL1668720 | 0.87 | CHRM5 (0.43) | CHRM5CHRM1CHRM3S1PR5S1PR1 | |
| Hydrochloric Acid SCHEMBL1668222 | 0.86 | FFAR1 (0.43) | FFAR4FFAR1PTGER1PTGER4PTGER3 | |
| SCHEMBL12801208 | 0.85 | FFAR4 (0.47) | FFAR4CHRM5CHRM1CHRM3FFAR1 | |
| SCHEMBL1668495 | 0.84 | CHRM5 (0.56) | CHRM5CHRM1CHRM3 | |
| SCHEMBL1669343 | 0.82 | OPRD1 (0.40) | FFAR4CHRM5CHRM1CHRM3FFAR1 | |
| SCHEMBL12800403 | 0.82 | OPRD1 (0.46) | FFAR4 | |
| SCHEMBL12801191 | 0.81 | CHRM5 (0.46) | CHRM5CHRM1CHRM3APP | |
| SCHEMBL1668599 | 0.78 | RXRA (0.38) | FFAR4CHRM5CHRM1CHRM3FFAR1 | |
| SCHEMBL1668322 | 0.78 | S1PR1 (0.40) | CHRM5CHRM1CHRM3S1PR5S1PR1 |
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 |