Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 13/20 | 0.43 |
| ▸ | JAK1 | P23458 | 8/20 | 0.43 |
| ▸ | JAK3 | P52333 | 11/20 | 0.42 |
| ▸ | TYK2 | P29597 | 3/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.36 |
| ▸ | MARK3 | P27448 | 2/20 | 0.36 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.36 |
| ▸ | STK3 | Q13188 | 2/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.36 |
| ▸ | CAMK2D | Q13557 | 2/20 | 0.36 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.36 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL16718873 | 0.81 | JAK2 (0.42) | JAK2JAK1JAK3TYK2KCNH2 | |
| SCHEMBL20160546 | 0.80 | MCHR1 (0.41) | ALDH1A1MAPTMCHR1 | |
| SCHEMBL12424943 | 0.77 | ALDH1A1 (0.43) | JAK2JAK1JAK3TYK2KCNH2 | |
| SCHEMBL14344778 | 0.76 | ALDH1A1 (0.43) | ALDH1A1MAPTL3MBTL1MCHR1 | |
| SCHEMBL6421780 | 0.76 | ALDH1A1 (0.58) | JAK2JAK3KDM4EMEN1ALDH1A1 | |
| SCHEMBL18909336 | 0.76 | EPHX2 (0.39) | JAK2JAK1JAK3ALDH1A1 | |
| SCHEMBL25923111 | 0.76 | MEN1 (0.43) | MEN1ALDH1A1MAPTKMT2AMCHR1 | |
| SCHEMBL13741354 | 0.74 | GPR119 (0.43) | JAK2JAK1JAK3TYK2KCNH2 | |
| SCHEMBL22779638 | 0.73 | JAK1 (0.41) | JAK2JAK1JAK3TYK2KCNH2 | |
| SCHEMBL12513691 | 0.73 | ALDH1A1 (0.43) | JAK2JAK1JAK3TYK2KCNH2 |
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-2018086589-A1 | 1,5,7-TRI-SUBSTITUTED ISOQUINOLINE DERIVATIVES, PREPARATION THEREOF, AND USE THEREOF IN MEDICINES | 上海海雁医药科技有限公司 | 2018-05-17 | — | — | WO | disclosed |