Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK3 | P52333 | 20/20 | 0.68 |
| ▸ | JAK2 | O60674 | 16/20 | 0.68 |
| ▸ | JAK1 | P23458 | 11/20 | 0.68 |
| ▸ | TYK2 | P29597 | 6/20 | 0.68 |
| ▸ | PKN2 | Q16513 | 5/20 | 0.68 |
| ▸ | ROCK1 | Q13464 | 4/20 | 0.68 |
| ▸ | LRRK2 | Q5S007 | 4/20 | 0.68 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.68 |
| ▸ | PRKCD | Q05655 | 3/20 | 0.68 |
| ▸ | STK3 | Q13188 | 3/20 | 0.68 |
| ▸ | CAMK2D | Q13557 | 3/20 | 0.68 |
| ▸ | LCK | P06239 | 3/20 | 0.68 |
| ▸ | RET | P07949 | 3/20 | 0.68 |
| ▸ | CAMK1D | Q8IU85 | 3/20 | 0.68 |
| ▸ | MARK3 | P27448 | 2/20 | 0.68 |
| ▸ | MARK2 | Q7KZI7 | 2/20 | 0.68 |
| ▸ | DCLK1 | O15075 | 2/20 | 0.68 |
| ▸ | ABL1 | P00519 | 2/20 | 0.68 |
| ▸ | FYN | P06241 | 2/20 | 0.68 |
| ▸ | DMPK | Q09013 | 2/20 | 0.68 |
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 | |
|---|---|---|---|---|
| SCHEMBL24200717 | 0.83 | JAK3 (0.75) | JAK3JAK2JAK1TYK2PKN2 | |
| SCHEMBL30911326 | 0.83 | JAK3 (0.75) | JAK3JAK2JAK1TYK2PKN2 | |
| SCHEMBL22418507 | 0.83 | JAK3 (0.75) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL30925309 | 0.81 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| SCHEMBL10062081 | 0.81 | JAK3 (0.75) | JAK3JAK2JAK1TYK2PKN2 | |
| Tasocitinib SCHEMBL30341861 | 0.81 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL322753 | 0.81 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL23199919 | 0.81 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tasocitinib SCHEMBL23058868 | 0.81 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| SCHEMBL353500 | 0.81 | JAK3 (0.75) | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109608468-B | Tofacitinib citrate impurity, and synthesis method and application thereof | 成都倍特药业股份有限公司 | 2020-09-29 | — | — | CN | claimed |
| CN-109608468-A | Tofacitinib citrate impurity, and synthesis method and application thereof | 成都倍特药业有限公司 | 2019-04-12 | — | — | CN | claimed |
| CN-109608468-B | Tofacitinib citrate impurity, and synthesis method and application thereof | 成都倍特药业股份有限公司 | 2020-09-29 | — | — | CN | disclosed |
| CN-109608468-B | Tofacitinib citrate impurity, and synthesis method and application thereof | 成都倍特药业股份有限公司 | 2020-09-29 | — | — | CN | disclosed |
| CN-109608468-A | Tofacitinib citrate impurity, and synthesis method and application thereof | 成都倍特药业有限公司 | 2019-04-12 | — | — | CN | disclosed |
| CN-109608468-A | Tofacitinib citrate impurity, and synthesis method and application thereof | 成都倍特药业有限公司 | 2019-04-12 | — | — | CN | disclosed |