Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 19/20 | 0.76 |
| ▸ | JAK2 | O60674 | 13/20 | 0.76 |
| ▸ | JAK1 | P23458 | 10/20 | 0.76 |
| ▸ | TYK2 | P29597 | 5/20 | 0.76 |
| ▸ | PKN2 | Q16513 | 3/20 | 0.67 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.67 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.63 |
| ▸ | MARK3 | P27448 | 2/20 | 0.63 |
| ▸ | PRKCD | Q05655 | 2/20 | 0.63 |
| ▸ | STK3 | Q13188 | 2/20 | 0.63 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.63 |
| ▸ | CAMK2D | Q13557 | 2/20 | 0.63 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.63 |
| ▸ | MARK2 | Q7KZI7 | 2/20 | 0.63 |
| ▸ | MAP4K3 | Q8IVH8 | 1/20 | 0.63 |
| ▸ | MAP4K5 | Q9Y4K4 | 1/20 | 0.63 |
| ▸ | DCLK1 | O15075 | 1/20 | 0.63 |
| ▸ | ABL1 | P00519 | 1/20 | 0.63 |
| ▸ | LCK | P06239 | 1/20 | 0.63 |
| ▸ | FYN | P06241 | 1/20 | 0.63 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28206206 | 0.99 | JAK3 (0.75) | JAK3JAK2JAK1TYK2PKN2 | |
| SCHEMBL5335321 | 0.89 | JAK3 (0.72) | JAK3JAK2JAK1TYK2PKN2 | |
| SCHEMBL28407471 | 0.88 | JAK3 (0.71) | JAK3JAK2JAK1TYK2PKN2 | |
| SCHEMBL4070348 | 0.88 | JAK3 (0.71) | JAK3JAK2JAK1TYK2PKN2 | |
| SCHEMBL1376867 | 0.87 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| SCHEMBL4062925 | 0.87 | JAK3 (0.70) | JAK3JAK2JAK1TYK2PKN2 | |
| SCHEMBL28403918 | 0.87 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| SCHEMBL28403909 | 0.87 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| SCHEMBL4061412 | 0.87 | JAK3 (0.70) | JAK3JAK2JAK1TYK2PKN2 | |
| SCHEMBL1120769 | 0.87 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107698595-A | Preparation method of tofacitinib citrate substance | 江苏正大清江制药有限公司 | 2018-02-16 | — | — | CN | claimed |
| CN-107698595-A | Preparation method of tofacitinib citrate substance | 江苏正大清江制药有限公司 | 2018-02-16 | — | — | CN | disclosed |
| CN-107698595-A | Preparation method of tofacitinib citrate substance | 江苏正大清江制药有限公司 | 2018-02-16 | — | — | CN | disclosed |