Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | EED | O75530 | 1/20 | 0.33 |
| ▸ | SUZ12 | Q15022 | 1/20 | 0.33 |
| ▸ | EZH2 | Q15910 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.32 |
| ▸ | NAMPT | P43490 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL18667107 | 0.91 | ROCK2 (0.36) | ROCK2CYP3A4CYP2D6CYP2C9ROCK1 | |
| SCHEMBL24221908 | 0.89 | ROCK2 (0.37) | ROCK2CYP3A4CYP2D6CYP2C9ROCK1 | |
| SCHEMBL21291434 | 0.86 | ROCK2 (0.36) | ROCK2CYP3A4CYP2D6CYP2C9ROCK1 | |
| SCHEMBL18667635 | 0.84 | ROCK2 (0.35) | ROCK2CYP3A4CYP2D6CYP2C9ROCK1 | |
| SCHEMBL18667626 | 0.82 | HDAC1 (0.37) | ROCK2CYP3A4CYP2D6CYP2C9ROCK1 | |
| SCHEMBL18667142 | 0.82 | ROCK2 (0.35) | ROCK2CYP3A4CYP2D6CYP2C9ROCK1 | |
| SCHEMBL21250368 | 0.81 | ROCK2 (0.34) | ROCK2CYP3A4CYP2D6CYP2C9ROCK1 | |
| SCHEMBL18667750 | 0.78 | NAMPT (0.36) | SMN1; SMN2NAMPT | |
| SCHEMBL19984640 | 0.78 | SLC22A12 (0.35) | ROCK2 | |
| SCHEMBL18667628 | 0.76 | ROCK2 (0.34) | ROCK2CYP3A4CYP2D6CYP2C9ROCK1 |
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-2018053157-A1 | HEPATITIS B CORE PROTEIN MODULATORS | ASSEMBLY BIOSCIENCES, INC. (US) | 2018-03-22 | — | — | WO | disclosed |