Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 8/20 | 0.66 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.34 |
| ▸ | GPR6 | P46095 | 1/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.33 |
| ▸ | CCR2 | P41597 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19023845 | 0.93 | CHRM4 (0.63) | CHRM4HRH3CYP2D6CYP3A4GPR6 | |
| SCHEMBL19022897 | 0.90 | CHRM4 (0.66) | CHRM4HRH3CYP2D6CYP3A4 | |
| SCHEMBL19023023 | 0.87 | CHRM4 (0.75) | CHRM4HRH3CYP2D6CYP3A4 | |
| SCHEMBL21796310 | 0.85 | CHRM4 (0.64) | CHRM4HRH3CYP2D6CYP3A4GPR6 | |
| SCHEMBL19023300 | 0.80 | CHRM4 (0.77) | CHRM4HRH3CYP2D6CYP3A4GPR6 | |
| SCHEMBL19022651 | 0.80 | CHRM4 (0.71) | CHRM4HRH3CYP2D6CYP3A4 | |
| SCHEMBL19022814 | 0.80 | CHRM4 (1.00) | CHRM4HRH3CYP2D6ROCK2CCR2 | |
| SCHEMBL19022643 | 0.79 | CHRM4 (0.72) | CHRM4HRH3GPR6 | |
| SCHEMBL19022841 | 0.79 | CHRM4 (0.75) | CHRM4HRH3GPR6 | |
| SCHEMBL19023012 | 0.79 | CHRM4 (0.72) | CHRM4HRH3CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3394061-B1 | 6,7-DIHYDRO-5H-PYRROLO[3,4-B]PYRIDIN-5-ONE ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME (US) | 2020-03-11 | — | — | EP | claimed |