Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.38 |
| ▸ | PRKCZ | Q05513 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.34 |
| ▸ | ROCK1 | Q13464 | 5/20 | 0.34 |
| ▸ | KHK | P50053 | 2/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.32 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.32 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.31 |
| ▸ | PRKACA | P17612 | 1/20 | 0.31 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.31 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.31 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.31 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.31 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.31 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.31 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.31 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.31 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.31 |
| ▸ | CLK2 | P49760 | 2/20 | 0.31 |
| ▸ | CLK3 | P49761 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20324656 | 0.74 | IKBKB (0.41) | IKBKBPRKCZROCK1KHKROCK2 | |
| SCHEMBL19022976 | 0.72 | CHRM4 (0.52) | PRKCZCHRM4KCNH2CLK2CLK3 | |
| SCHEMBL21461276 | 0.72 | CHRM4 (0.52) | PRKCZCHRM4KCNH2CLK2CLK3 | |
| SCHEMBL19049933 | 0.72 | CHRM4 (0.52) | PRKCZCHRM4KCNH2CLK2CLK3 | |
| SCHEMBL19023237 | 0.72 | CHRM4 (0.52) | PRKCZCHRM4KCNH2CLK2CLK3 | |
| SCHEMBL19023216 | 0.72 | CHRM4 (0.52) | PRKCZCHRM4KCNH2CLK2CLK3 | |
| SCHEMBL19023271 | 0.72 | CHRM4 (0.52) | PRKCZCHRM4KCNH2CLK2CLK3 | |
| SCHEMBL19025177 | 0.67 | CHRM4 (0.47) | IKBKBPRKCZCHRM4ROCK1ROCK2 | |
| SCHEMBL5640513 | 0.67 | PRKCZ (0.48) | IKBKBPRKCZROCK1KCNH2EGFR | |
| SCHEMBL5639772 | 0.66 | PRKCZ (0.50) | PRKCZROCK1ROCK2 |
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-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 |
| WO-2017107087-A1 | 6, 7-DIHYDRO-5H-PYRROLO [3, 4-B] PYRIDIN-5-ONEALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2017-06-29 | — | — | WO | disclosed |