Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 11/20 | 0.70 |
| ▸ | JAK1 | P23458 | 10/20 | 0.70 |
| ▸ | JAK3 | P52333 | 4/20 | 0.70 |
| ▸ | KIT | P10721 | 4/20 | 0.70 |
| ▸ | ABL1 | P00519 | 3/20 | 0.70 |
| ▸ | TYK2 | P29597 | 3/20 | 0.70 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.70 |
| ▸ | PAK4 | O96013 | 2/20 | 0.70 |
| ▸ | RET | P07949 | 2/20 | 0.70 |
| ▸ | LTK | P29376 | 2/20 | 0.70 |
| ▸ | CSNK1A1 | P48729 | 2/20 | 0.70 |
| ▸ | CLK2 | P49760 | 2/20 | 0.70 |
| ▸ | TNK2 | Q07912 | 2/20 | 0.70 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.70 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.70 |
| ▸ | IKBKE | Q14164 | 2/20 | 0.70 |
| ▸ | NTRK3 | Q16288 | 2/20 | 0.70 |
| ▸ | NTRK2 | Q16620 | 2/20 | 0.70 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.70 |
| ▸ | TAOK1 | Q7L7X3 | 2/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL20670277 | 1.00 | JAK2 (0.70) | JAK2JAK1JAK3KITABL1 | |
| SCHEMBL1611522 | 0.89 | JAK2 (0.70) | JAK2JAK1JAK3KITABL1 | |
| Ruxolitinib SCHEMBL29808249 | 0.83 | JAK2 (1.00) | JAK2JAK1JAK3KITABL1 | |
| Ruxolitinib SCHEMBL31247553 | 0.83 | JAK2 (1.00) | JAK2JAK1JAK3KITABL1 | |
| Ruxolitinib SCHEMBL99225 | 0.83 | JAK2 (1.00) | JAK2JAK1JAK3KITABL1 | |
| Ruxolitinib SCHEMBL29349794 | 0.83 | JAK2 (1.00) | JAK2JAK1JAK3KITABL1 | |
| Ruxolitinib SCHEMBL171319 | 0.83 | JAK2 (1.00) | JAK2JAK1JAK3KITABL1 | |
| Ruxolitinib SCHEMBL101279 | 0.83 | JAK2 (1.00) | JAK2JAK1JAK3KITABL1 | |
| Ruxolitinib SCHEMBL29677353 | 0.83 | JAK2 (1.00) | JAK2JAK1JAK3KITABL1 | |
| Ruxolitinib SCHEMBL26927161 | 0.83 | JAK2 (1.00) | JAK2JAK1JAK3KITABL1 |
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-2016205798-A1 | SELECTIVE ARYLATION OF DICHALCOGENIDES IN BIOMOLECULES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-12-22 | — | — | WO | disclosed |