Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 19/20 | 0.85 |
| ▸ | JAK2 | O60674 | 19/20 | 0.85 |
| ▸ | JAK3 | P52333 | 14/20 | 0.85 |
| ▸ | CIT | O14578 | 1/20 | 0.85 |
| ▸ | GAK | O14976 | 1/20 | 0.85 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.85 |
| ▸ | ULK1 | O75385 | 1/20 | 0.85 |
| ▸ | PRKCB | P05771 | 1/20 | 0.85 |
| ▸ | RET | P07949 | 1/20 | 0.85 |
| ▸ | PRKCA | P17252 | 1/20 | 0.85 |
| ▸ | PRKACA | P17612 | 1/20 | 0.85 |
| ▸ | MARK3 | P27448 | 1/20 | 0.85 |
| ▸ | TYK2 | P29597 | 1/20 | 0.85 |
| ▸ | STAT3 | P40763 | 1/20 | 0.85 |
| ▸ | CLK1 | P49759 | 1/20 | 0.85 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.85 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.85 |
| ▸ | MAP3K1 | Q13233 | 1/20 | 0.85 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.85 |
| ▸ | TNK1 | Q13470 | 1/20 | 0.85 |
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 | |
|---|---|---|---|---|
| SCHEMBL871116 | 0.93 | JAK1 (0.85) | JAK1JAK2JAK3CITGAK | |
| Baricitinib SCHEMBL871150 | 0.92 | JAK1 (1.00) | JAK1JAK2JAK3CITGAK | |
| Baricitinib SCHEMBL29349824 | 0.92 | JAK1 (1.00) | JAK1JAK2JAK3CITGAK | |
| Baricitinib SCHEMBL20135563 | 0.91 | JAK1 (0.98) | JAK1JAK2JAK3CITGAK | |
| Baricitinib SCHEMBL20135561 | 0.91 | JAK1 (0.98) | JAK1JAK2JAK3CITGAK | |
| SCHEMBL18857168 | 0.90 | JAK1 (0.84) | JAK1JAK2JAK3CITGAK | |
| SCHEMBL18857206 | 0.90 | JAK1 (0.82) | JAK1JAK2JAK3CITGAK | |
| Baricitinib SCHEMBL20135659 | 0.90 | JAK1 (0.95) | JAK1JAK2JAK3CITGAK | |
| Baricitinib SCHEMBL20135562 | 0.90 | JAK1 (0.95) | JAK1JAK2JAK3CITGAK | |
| SCHEMBL18857171 | 0.89 | JAK1 (0.81) | JAK1JAK2JAK3CITGAK |
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-2017082759-A1 | {3-[(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)-AZOLYL]AZETIDIN-3-YL}-ACETONITRILES AS JANUS KINASE INHIBITORS | АКЦИОНЕРНОЕ ОБЩЕСТВО "Р-ФАРМ" (АО "Р-ФАРМ") | 2017-05-18 | — | — | WO | disclosed |