Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK2 | O60674 | 19/20 | 0.53 |
| ▸ | JAK1 | P23458 | 19/20 | 0.51 |
| ▸ | JAK3 | P52333 | 14/20 | 0.51 |
| ▸ | TYK2 | P29597 | 2/20 | 0.51 |
| ▸ | CIT | O14578 | 1/20 | 0.51 |
| ▸ | GAK | O14976 | 1/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.51 |
| ▸ | ULK1 | O75385 | 1/20 | 0.51 |
| ▸ | PRKCB | P05771 | 1/20 | 0.51 |
| ▸ | RET | P07949 | 1/20 | 0.51 |
| ▸ | PRKCA | P17252 | 1/20 | 0.51 |
| ▸ | PRKACA | P17612 | 1/20 | 0.51 |
| ▸ | MARK3 | P27448 | 1/20 | 0.51 |
| ▸ | STAT3 | P40763 | 1/20 | 0.51 |
| ▸ | CLK1 | P49759 | 1/20 | 0.51 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.51 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.51 |
| ▸ | MAP3K1 | Q13233 | 1/20 | 0.51 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.51 |
| ▸ | TNK1 | Q13470 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL99487 | 0.81 | JAK2 (0.60) | JAK2JAK1JAK3TYK2CIT | |
| SCHEMBL98899 | 0.79 | JAK2 (0.56) | JAK2JAK1JAK3TYK2CIT | |
| SCHEMBL101164 | 0.76 | JAK2 (0.58) | JAK2JAK1JAK3TYK2CIT | |
| SCHEMBL26244237 | 0.74 | JAK2 (0.58) | JAK2JAK1JAK3TYK2CIT | |
| SCHEMBL28049773 | 0.73 | JAK2 (0.53) | JAK2JAK1JAK3TYK2CIT | |
| SCHEMBL12250914 | 0.73 | JAK2 (0.54) | JAK2JAK1JAK3TYK2CIT | |
| SCHEMBL5197750 | 0.73 | JAK2 (0.51) | JAK2JAK1JAK3TYK2CIT | |
| SCHEMBL18602153 | 0.72 | JAK2 (0.54) | JAK2JAK1JAK3TYK2CIT | |
| SCHEMBL99729 | 0.71 | JAK2 (0.58) | JAK2JAK1JAK3TYK2CIT | |
| SCHEMBL15389391 | 0.71 | JAK2 (0.60) | JAK2JAK1JAK3TYK2CIT |
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-2018113801-A1 | CRYSTALLINE FORMS OF2-[1-ETHYLSULFONYL-3-[4-(7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PYRAZOL-1-YL]AZETIDIN-3-YL]ACETONITRILE WITH PHOSPHORIC ACID AND A METHOD OF THEIR PREPARATION | ZENTIVA, K.S. (CZ) | 2018-06-28 | — | — | WO | disclosed |