Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK1 | Q13464 | 11/20 | 0.56 |
| ▸ | BCL6 | P41182 | 1/20 | 0.56 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA6 | P23280 | 1/20 | 0.52 |
| ▸ | CA5A | P35218 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.52 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.52 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | PRKACA | P17612 | 1/20 | 0.46 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.46 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.46 |
| ▸ | CDC42BPA | Q5VT25 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL12346577 | 0.87 | ROCK1 (0.61) | ROCK1BCL6CA12CA1CA2 | |
| SCHEMBL12968977 | 0.79 | ROCK1 (0.63) | ROCK1BCL6CA12CA1CA2 | |
| SCHEMBL31336991 | 0.77 | ROCK1 (0.69) | ROCK1BCL6CA12CA1CA2 | |
| SCHEMBL28247390 | 0.77 | ROCK1 (0.59) | ROCK1BCL6CA12CA1CA2 | |
| SCHEMBL1935543 | 0.76 | ROCK1 (0.58) | ROCK1BCL6CA12CA1CA2 | |
| SCHEMBL12968976 | 0.75 | ROCK1 (0.65) | ROCK1BCL6CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL12813104 | 0.74 | ROCK1 (0.63) | ROCK1BCL6CA12CA1CA2 | |
| SCHEMBL31337029 | 0.73 | SCN9A (0.82) | ROCK1BCL6CA12CA1CA2 | |
| SCHEMBL13963140 | 0.73 | ROCK1 (0.69) | ROCK1BCL6CA12CA1CA2 | |
| SCHEMBL31337079 | 0.73 | ROCK1 (0.69) | ROCK1BCL6CA12CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105348203-B | Inhibit the composition and method of JAK approach | 里格尔药品股份有限公司 | 2018-09-18 | — | — | CN | disclosed |