Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 14/20 | 0.47 |
| ▸ | PDE4A | P27815 | 12/20 | 0.47 |
| ▸ | PDE4B | Q07343 | 12/20 | 0.47 |
| ▸ | PDE4C | Q08493 | 12/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 12/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
| ▸ | LCAT | P04180 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL628617 | 0.85 | TSHR (0.39) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL3694402 | 0.84 | GPR119 (0.59) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL12506078 | 0.83 | GPR119 (0.55) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19454413 | 0.82 | GPR119 (0.46) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17115090 | 0.82 | PDE10A (0.44) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL17115054 | 0.82 | POLB (0.41) | RAB9APDE10AGPR119LCATPOLB | |
| SCHEMBL12506093 | 0.81 | GPR119 (0.56) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL15312852 | 0.81 | GPR119 (0.56) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL19435002 | 0.81 | LCAT (0.42) | CHRM3PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL14730239 | 0.78 | GPR119 (0.43) | CHRM3PDE4APDE4BPDE4CPDE4D |
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 |
|---|---|---|---|---|---|---|---|
| EP-3433234-B1 | ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME (US) | 2021-10-27 | — | — | EP | disclosed |
| WO-2017165256-A1 | ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS | MERCK SHARP & DOHME CORP. (US) | 2017-09-28 | — | — | WO | disclosed |