Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.52 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.39 |
| ▸ | CLK2 | P49760 | 3/20 | 0.39 |
| ▸ | CLK3 | P49761 | 3/20 | 0.39 |
| ▸ | DYRK1A | Q13627 | 3/20 | 0.39 |
| ▸ | KDM1A | O60341 | 8/20 | 0.38 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.37 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.37 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.37 |
| ▸ | CSF1R | P07333 | 3/20 | 0.36 |
| ▸ | KDR | P35968 | 3/20 | 0.36 |
| ▸ | FLT3 | P36888 | 3/20 | 0.36 |
| ▸ | KIT | P10721 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL19023216 | 1.00 | CHRM4 (0.52) | CHRM4PRKCZCLK2CLK3DYRK1A | |
| SCHEMBL19023271 | 1.00 | CHRM4 (0.52) | CHRM4PRKCZCLK2CLK3DYRK1A | |
| SCHEMBL21461276 | 1.00 | CHRM4 (0.52) | CHRM4PRKCZCLK2CLK3DYRK1A | |
| SCHEMBL19023237 | 1.00 | CHRM4 (0.52) | CHRM4PRKCZCLK2CLK3DYRK1A | |
| SCHEMBL19022976 | 1.00 | CHRM4 (0.52) | CHRM4PRKCZCLK2CLK3DYRK1A | |
| SCHEMBL29419896 | 0.80 | IKBKB (0.54) | CHRM4PRKCZDYRK1A | |
| SCHEMBL19023085 | 0.80 | IKBKB (0.54) | CHRM4PRKCZDYRK1A | |
| Hydrochloric Acid SCHEMBL31330197 | 0.76 | SLC6A2 (0.44) | CHRM4PRKCZCYP2D6 | |
| SCHEMBL19025177 | 0.75 | CHRM4 (0.47) | CHRM4PRKCZCLK2CLK3DYRK1A | |
| SCHEMBL19041883 | 0.72 | IKBKB (0.38) | CHRM4PRKCZCLK2CLK3DYRK1A |
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 |