Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.41 |
| ▸ | ROCK1 | Q13464 | 6/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.38 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.38 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.38 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.38 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.38 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.38 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.38 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.38 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.38 |
| ▸ | PRKCZ | Q05513 | 2/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | HRH1 | P35367 | 2/20 | 0.34 |
| ▸ | KHK | P50053 | 3/20 | 0.34 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 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 | |
|---|---|---|---|---|
| SCHEMBL19041883 | 0.74 | IKBKB (0.38) | IKBKBROCK1ROCK2PRKACAPRKCD | |
| SCHEMBL19023851 | 0.71 | IKBKB (0.50) | IKBKBROCK1ROCK2PRKACAPRKCD | |
| SCHEMBL29594416 | 0.71 | IKBKB (0.50) | IKBKBROCK1ROCK2PRKACAPRKCD | |
| SCHEMBL19041882 | 0.69 | HTR6 (0.46) | IKBKBROCK1ROCK2PRKACAPRKCD | |
| SCHEMBL25197850 | 0.63 | HTR2C (0.52) | HRH3FFAR4 | |
| SCHEMBL25203439 | 0.63 | HTR2C (0.52) | HRH3FFAR4 | |
| SCHEMBL11063126 | 0.63 | IKBKB (0.68) | IKBKBROCK1ROCK2PRKACAPRKCD | |
| SCHEMBL20321104 | 0.62 | PIK3CD (0.42) | IKBKBROCK1ROCK2PRKACAPRKCD | |
| SCHEMBL24109933 | 0.62 | FFAR4 (0.42) | HRH3FFAR4 | |
| SCHEMBL19024071 | 0.62 | HRH3 (0.53) | IKBKBROCK1ROCK2PRKACAPRKCD |
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-2018112843-A1 | HETEROARYL PIPERIDINE ETHER ALLOSTERIC MODULATORS OF THE M4 MUSCARINIC ACETYLCHOLINE RECEPTOR | MERCK SHARP & DOHME CORP. (US) | 2018-06-28 | — | — | WO | disclosed |