Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tofacitinib. 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 | |
|---|---|---|---|---|
| ▸ | JAK3 known ✓ | P52333 | 19/20 | 1.00 |
| ▸ | JAK2 known ✓ | O60674 | 12/20 | 1.00 |
| ▸ | JAK1 known ✓ | P23458 | 11/20 | 1.00 |
| ▸ | TYK2 known ✓ | P29597 | 6/20 | 1.00 |
| ▸ | PKN2 | Q16513 | 4/20 | 1.00 |
| ▸ | ROCK2 | O75116 | 3/20 | 1.00 |
| ▸ | PRKCD | Q05655 | 3/20 | 1.00 |
| ▸ | STK3 | Q13188 | 3/20 | 1.00 |
| ▸ | ROCK1 | Q13464 | 3/20 | 1.00 |
| ▸ | CAMK2D | Q13557 | 3/20 | 1.00 |
| ▸ | LRRK2 | Q5S007 | 3/20 | 1.00 |
| ▸ | MARK3 | P27448 | 2/20 | 1.00 |
| ▸ | MARK2 | Q7KZI7 | 2/20 | 1.00 |
| ▸ | DCLK1 | O15075 | 2/20 | 1.00 |
| ▸ | ABL1 | P00519 | 2/20 | 1.00 |
| ▸ | LCK | P06239 | 2/20 | 1.00 |
| ▸ | FYN | P06241 | 2/20 | 1.00 |
| ▸ | RET | P07949 | 2/20 | 1.00 |
| ▸ | DMPK | Q09013 | 2/20 | 1.00 |
| ▸ | MAP4K2 | Q12851 | 2/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Tofacitinib SCHEMBL28416782 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL1120705 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL29351183 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL29816283 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL11949309 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tasocitinib SCHEMBL23058868 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL322753 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tasocitinib SCHEMBL30341861 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL30925309 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| SCHEMBL25703953 | 0.95 | JAK3 (0.91) | 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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112641773-A | Composition containing heterocyclic compound and use thereof | 黄泳华 | 2021-04-13 | — | — | CN | claimed |
| CN-111588724-A | Use of pyrrolopyrimidine derivatives in the treatment of Janus kinase mediated diseases | 黄泳华 | 2020-08-28 | — | — | CN | claimed |
| CN-111202736-A | Compositions containing a mixture of pyrrolopyrimidine derivatives and uses thereof | 黄泳华 | 2020-05-29 | — | — | CN | claimed |
| CN-111110854-A | Composition comprising a histamine release-promoting substance and an inhibitory compound | 黄泳华 | 2020-05-08 | — | — | CN | claimed |
| WO-2024124240-A1 | METHODS OF TREATING MYELOPROLIFERATIVE NEOPLASMS | KARTOS THERAPEUTICS (US) | 2024-06-13 | — | — | WO | disclosed |
| CN-114845734-A | Aqueous composition | 乐敦制药株式会社 | 2022-08-02 | — | — | CN | disclosed |
| CN-113549075-A | Synthesis method of tofacitinib citrate diastereoisomer impurity | 合肥华方医药科技有限公司 | 2021-10-26 | — | — | CN | disclosed |
| CN-112804994-A | Method for treating myeloproliferative tumors | 卡托斯医疗公司 | 2021-05-14 | — | — | CN | disclosed |
| EP-3801476-A2 | METHODS OF TREATING MYELOPROLIFERATIVE NEOPLASMS | Kartos Therapeutics, Inc. (US) | 2021-04-14 | — | — | EP | disclosed |
| CN-112641773-A | Composition containing heterocyclic compound and use thereof | 黄泳华 | 2021-04-13 | — | — | CN | disclosed |
| CN-111588724-A | Use of pyrrolopyrimidine derivatives in the treatment of Janus kinase mediated diseases | 黄泳华 | 2020-08-28 | — | — | CN | disclosed |
| CN-111202736-A | Compositions containing a mixture of pyrrolopyrimidine derivatives and uses thereof | 黄泳华 | 2020-05-29 | — | — | CN | disclosed |
| CN-111110854-A | Composition comprising a histamine release-promoting substance and an inhibitory compound | 黄泳华 | 2020-05-08 | — | — | CN | disclosed |