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 SCHEMBL23199919 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tofacitinib SCHEMBL11949309 | 1.00 | JAK3 (1.00) | JAK3JAK2JAK1TYK2PKN2 | |
| Tasocitinib SCHEMBL23058868 | 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 890 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240165145-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER AND BIOMARKERS TO DETECT CANCER STEM CELL REPROGRAMMING AND PROGRESSION | UNIV CALIFORNIA (US) | 2024-05-23 | — | — | US | claimed |
| CN-116262119-A | Pharmaceutical composition of JAK inhibitor | 齐鲁制药有限公司 | 2023-06-16 | — | — | CN | claimed |
| CN-114957264-A | Tofacitinib citrate impurity and preparation method and application thereof | 华润双鹤药业股份有限公司 | 2022-08-30 | — | — | CN | claimed |
| CN-110343111-B | Preparation method of tofacitinib citrate | 石药集团中奇制药技术（石家庄）有限公司 | 2021-05-25 | — | — | CN | claimed |
| EP-3539965-B1 | AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE | UNICHEM LAB LTD (IN) | 2021-01-20 | — | — | EP | claimed |
| US-10829450-B2 | Process for the preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine | UNICHEM LABORATORIES LIMITED (IN) | 2020-11-10 | — | — | US | claimed |
| CN-110343111-A | Preparation method of tofacitinib citrate | 石药集团中奇制药技术（石家庄）有限公司 | 2019-10-18 | — | — | CN | claimed |
| EP-3539965-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE | UNICHEM LABORATORIES LIMITED (IN) | 2019-09-18 | — | — | EP | claimed |
| US-20190247413-A1 | COMPOSITIONS AND METHODS FOR TREATING CANCER AND BIOMARKERS TO DETECT CANCER STEM CELL REPROGRAMMING AND PROGRESSION | THE GOVERNMENT OF THE UNITED STATES, AS REPRESENTED BY THE SECRETARY OF THE ARMY | 2019-08-15 | — | — | US | claimed |
| EP-3042903-B1 | Substituted hetero-bicyclic compounds, compositions and medicinal applications thereof | IMPETIS BIOSCIENCES LTD (IN) | 2019-08-14 | — | — | EP | claimed |
| WO-2005051393-A1 | METHOD OF TREATMENT OF ATHEROSCLEROSIS | PFIZER PRODUCTS INC. (US) | 2005-06-09 | — | — | WO | claimed |
| US-20050113395-A1 | Method of treatment of atherosclerosis | PFIZER INC | 2005-05-26 | — | — | US | claimed |
| EP-1451192-A1 | NOVEL CRYSTALLINE COMPOUND | Pfizer Products Inc. (US) | 2004-09-01 | — | — | EP | claimed |
| US-20040116449-A1 | Method of treatment of transplant rejection | PFIZER INC | 2004-06-17 | — | — | US | claimed |
| WO-2004047843-A1 | METHOD OF TREATMENT OF TRANSPLANT REJECTION | PFIZER PRODUCTS INC. (US) | 2004-06-10 | — | — | WO | claimed |
| EP-1392694-A1 | OPTICAL RESOLUTION OF (1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE AND THE USE THEREOF FOR THE PREPARATION OF PYRROLO[2,3]PYRIMIDINE DERIVATIVES AS PROTEIN KINASES INHIBITORS | Pfizer Products Inc. (US) | 2004-03-03 | — | — | EP | claimed |
| US-20030130292-A1 | Novel crystalline compound | PFIZER INC. | 2003-07-10 | — | — | US | claimed |
| WO-2003048162-A1 | NOVEL CRYSTALLINE COMPOUND | PFIZER PRODUCTS INC. (US) | 2003-06-12 | — | — | WO | claimed |
| US-20030073719-A1 | Chiral salt resolution | PFIZER INC. | 2003-04-17 | — | — | US | claimed |
| WO-2002096909-A1 | OPTICAL RESOLUTION OF (1-BENZYL-4-METHYLPIPERIDIN-3-YL) -METHYLAMINE AND THE USE THEREOF FOR THE PREPARATION OF PYRROLO 2,3-PYRIMIDINE DERIVATIVES AS PROTEIN KINASES INHIBITORS | PFIZER PRODUCTS INC. (US) | 2002-12-05 | — | — | WO | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10829450-B2 | Process for the preparation of (3R,4R)-(1-benzyl-4-methylpiperidin-3-yl)-methylamine | KDM4D, KDM4A, KDM4C | JAK3 1107/4885JAK2 1226/4885JAK1 1103/4885 |
| US-20030073719-A1 | Chiral salt resolution | REN, SRR, RER1 | JAK3 4250/4885JAK2 3069/4885JAK1 3549/4885 |
| US-20030130292-A1 | Novel crystalline compound | ACP1, PACSIN2, PLK4 | JAK3 1054/4885JAK2 1328/4885JAK1 959/4885 |
| US-20050113395-A1 | Method of treatment of atherosclerosis | LDLR, MSR1, NR1H2 | JAK3 2714/4885JAK2 1703/4885JAK1 3055/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.