Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 9/20 | 0.76 |
| ▸ | ROCK2 | O75116 | 7/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.38 |
| ▸ | CCR2 | P41597 | 3/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | GPR6 | P46095 | 1/20 | 0.32 |
| ▸ | GRIA1 | P42261 | 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 | |
|---|---|---|---|---|
| SCHEMBL19022660 | 1.00 | CHRM4 (0.76) | CHRM4ROCK2ROCK1CCR2LRRK2 | |
| SCHEMBL19022814 | 0.87 | CHRM4 (1.00) | CHRM4ROCK2ROCK1CCR2TRPV1 | |
| SCHEMBL19023185 | 0.86 | CHRM4 (0.74) | CHRM4GPR6 | |
| SCHEMBL19041914 | 0.86 | CHRM4 (0.74) | CHRM4GPR6 | |
| SCHEMBL19022863 | 0.86 | CHRM4 (1.00) | CHRM4GPR6 | |
| SCHEMBL19022819 | 0.86 | CHRM4 (1.00) | CHRM4GPR6 | |
| SCHEMBL19022872 | 0.86 | CHRM4 (1.00) | CHRM4GPR6 | |
| SCHEMBL19022793 | 0.86 | CHRM4 (1.00) | CHRM4GPR6 | |
| SCHEMBL19022759 | 0.85 | CHRM4 (0.72) | CHRM4GPR6 | |
| SCHEMBL21165382 | 0.85 | CHRM4 (0.70) | CHRM4LRRK2GPR6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2017112719-A1 | 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2017-06-29 | — | — | WO | disclosed |