Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Baricitinib. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 known ✓ | P23458 | 20/20 | 0.98 |
| ▸ | JAK2 known ✓ | O60674 | 19/20 | 0.98 |
| ▸ | JAK3 | P52333 | 15/20 | 0.98 |
| ▸ | TYK2 | P29597 | 3/20 | 0.98 |
| ▸ | CIT | O14578 | 1/20 | 0.98 |
| ▸ | GAK | O14976 | 1/20 | 0.98 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.98 |
| ▸ | ULK1 | O75385 | 1/20 | 0.98 |
| ▸ | PRKCB | P05771 | 1/20 | 0.98 |
| ▸ | RET | P07949 | 1/20 | 0.98 |
| ▸ | PRKCA | P17252 | 1/20 | 0.98 |
| ▸ | PRKACA | P17612 | 1/20 | 0.98 |
| ▸ | MARK3 | P27448 | 1/20 | 0.98 |
| ▸ | STAT3 | P40763 | 1/20 | 0.98 |
| ▸ | CLK1 | P49759 | 1/20 | 0.98 |
| ▸ | CSNK1G2 | P78368 | 1/20 | 0.98 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.98 |
| ▸ | MAP3K1 | Q13233 | 1/20 | 0.98 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.98 |
| ▸ | TNK1 | Q13470 | 1/20 | 0.98 |
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 | |
|---|---|---|---|---|
| Baricitinib SCHEMBL29349824 | 0.99 | JAK1 (1.00) | JAK1JAK2JAK3TYK2CIT | |
| Baricitinib SCHEMBL871150 | 0.99 | JAK1 (1.00) | JAK1JAK2JAK3TYK2CIT | |
| Baricitinib SCHEMBL20135561 | 0.98 | JAK1 (0.98) | JAK1JAK2JAK3TYK2CIT | |
| Baricitinib SCHEMBL20135659 | 0.96 | JAK1 (0.95) | JAK1JAK2JAK3TYK2CIT | |
| Baricitinib SCHEMBL20135562 | 0.96 | JAK1 (0.95) | JAK1JAK2JAK3TYK2CIT | |
| Baricitinib SCHEMBL20135649 | 0.96 | JAK1 (0.93) | JAK1JAK2JAK3TYK2CIT | |
| Baricitinib SCHEMBL20135651 | 0.96 | JAK1 (0.93) | JAK1JAK2JAK3TYK2CIT | |
| Baricitinib SCHEMBL871037 | 0.95 | JAK1 (0.92) | JAK1JAK2JAK3TYK2CIT | |
| Baricitinib SCHEMBL1396340 | 0.95 | JAK1 (0.92) | JAK1JAK2JAK3TYK2CIT | |
| SCHEMBL872210 | 0.94 | JAK1 (0.90) | JAK1JAK2JAK3TYK2CIT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3321267-A1 | CRYSTALLINE FORMS OF 2-[1-ETHYLSULFONYL-3-[7H-PYRROLO[2,3-D]PYRIMIDIN-4-YL)PYRAZOL-1-YL]AZETIDIN-3-YL]ACETONITRILE SALTS AND PREPARATION THEREOF | Zentiva K.S. (CZ) | 2018-05-16 | — | — | EP | disclosed |