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 | |
| 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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240016779-A1 | COMPOSITION FOR PREVENTING AND TREATING INFLAMMATORY DISEASE AND AUTOIMMUNE DISEASES AND NON-ALCOHOLIC FATTY LIVER DISEASE, COMPRISING EXTRACT DERIVED FROM CENTIPEDA MINIMA | D-NATURE CO., LTD. (KR) | 2024-01-18 | — | — | US | disclosed |
| US-20240016779-A1 | COMPOSITION FOR PREVENTING AND TREATING INFLAMMATORY DISEASE AND AUTOIMMUNE DISEASES AND NON-ALCOHOLIC FATTY LIVER DISEASE, COMPRISING EXTRACT DERIVED FROM CENTIPEDA MINIMA | D-NATURE CO., LTD. (KR) | 2024-01-18 | — | — | US | disclosed |
| WO-2023001045-A9 | EXTERNAL ANTI-INFLAMMATORY COUPLING COMPOUND DRUG, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 上海椿安生物医药科技有限公司 | 2023-10-26 | — | — | WO | disclosed |
| US-11744831-B2 | Antiviral JAK inhibitors useful in treating or preventing retroviral and other viral infections | EMORY UNIVERSITY (US) | 2023-09-05 | — | — | US | disclosed |
| US-20230203183-A1 | TREATMENT OF DIABETES MELLITUS | LEVIT EYAL (US) | 2023-06-29 | — | — | US | disclosed |
| WO-2022262802-A1 | SUSTAINED-RELEASE PREPARATION OF TOFACITINIB AND PREPARATION METHOD THEREFOR | 无锡叶石医药有限公司 | 2022-12-22 | — | — | WO | disclosed |
| US-20220315961-A1 | ENGINEERED IMINE REDUCTASES AND METHODS FOR THE REDUCTIVE AMINATION OF KETONE AND AMINE COMPOUNDS | INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT | 2022-10-06 | — | — | US | disclosed |
| US-11065254-B2 | Antiviral JAK inhibitors useful in treating or preventing retroviral and other viral infections | THE UNITED STATES GOVERNMENT AS REPRESENTED BY THE DEPARTMENT OF VETERANS AFFAIRS (US) | 2021-07-20 | — | — | US | disclosed |
| US-11052090-B2 | Use of TREM-1 inhibitors for treatment, elimination and eradication of HIV-1 infection | EMORY UNIVERSITY (US) | 2021-07-06 | — | — | US | disclosed |
| 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 | disclosed |
| US-20160102057-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE | UNICHEM LABORATORIES LIMITED (IN) | 2016-04-14 | — | — | US | disclosed |
| US-9089574-B2 | Antiviral JAK inhibitors useful in treating or preventing retroviral and other viral infections | EMORY UNIVERSITY (US) | 2015-07-28 | — | — | US | disclosed |
| US-9089574-B2 | Antiviral JAK inhibitors useful in treating or preventing retroviral and other viral infections | EMORY UNIVERSITY (US) | 2015-07-28 | — | — | US | disclosed |
| WO-2015087201-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE | UNICHEM LABORATORIES LIMITED (IN) | 2015-06-18 | — | — | WO | disclosed |
| US-20140357557-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY | CERULEAN PHARMA INC. (US) | 2014-12-04 | — | — | US | disclosed |
| US-20140357557-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY | CERULEAN PHARMA INC. (US) | 2014-12-04 | — | — | US | disclosed |
| WO-2014194195-A2 | CYCLODEXTRIN-BASED POLYMERS FOR THE THERAPEUTIC DELIVERY | CERULEAN PHARMA INC. (US) | 2014-12-04 | — | — | WO | disclosed |
| US-8232394-B2 | Pyrrolo[2,3-d]pyrimidine derivatives; their intermediates and synthesis | PFIZER INC. (US) | 2012-07-31 | — | — | US | disclosed |
| US-20110288297-A1 | Pyrrolo[2,3-d]Pyrimidine Derivatives; Their Intermediates and Synthesis | PFIZER, INC. (US) | 2011-11-24 | — | — | US | disclosed |
| US-20090062301-A1 | PHARMACEUTICAL COMBINATION COMPOSITION COMPRISING AT LEAST ONE PKC INHIBITOR AND AT LEAST ONE JA K3 KINASE INHIBITOR FOR TREATING AUTOIMMUNE DISORDERS | MAIBUCHER AXEL | 2009-03-05 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (10 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-11744831-B2 | Antiviral JAK inhibitors useful in treating or preventing retroviral and other viral infections | JAK1, JAK3, PNP | JAK3 2/4885JAK2 4/4885JAK1 1/4885 |
| US-20160102057-A1 | AN IMPROVED PROCESS FOR THE PREPARATION OF (3R,4R)-(1-BENZYL-4-METHYLPIPERIDIN-3-YL)-METHYLAMINE | KDM4D, KDM4A, KDM4C | JAK3 2090/4885JAK2 2694/4885JAK1 1730/4885 |
| US-20230203183-A1 | TREATMENT OF DIABETES MELLITUS | JAK2, IAPP, JAK1 | JAK3 4/4885JAK2 1/4885JAK1 3/4885 |
| US-20090062301-A1 | PHARMACEUTICAL COMBINATION COMPOSITION COMPRISING AT LEAST ONE PKC INHIBITOR AND AT LEAST ONE JA K3 KINASE INHIBITOR FOR TREATING AUTOIMMUNE DISORDERS | JAK3, PRKD3, JAK1 | JAK3 1/4885JAK2 9/4885JAK1 3/4885 |
| US-20110288297-A1 | Pyrrolo[2,3-d]Pyrimidine Derivatives; Their Intermediates and Synthesis | DPYD, CPS1, TYMS | JAK3 351/4885JAK2 238/4885JAK1 547/4885 |
| US-20240016779-A1 | COMPOSITION FOR PREVENTING AND TREATING INFLAMMATORY DISEASE AND AUTOIMMUNE DISEASES AND NON-ALCOHOLIC FATTY LIVER DISEASE, COMPRISING EXTRACT DERIVED FROM CENTIPEDA MINIMA | FABP1, CHIA, SSB | JAK3 3431/4885JAK2 4783/4885JAK1 4356/4885 |
| US-20140357557-A1 | CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTIC DELIVERY | JAK2, JAK3, JAK1 | JAK3 2/4885JAK2 1/4885JAK1 3/4885 |
| US-11052090-B2 | Use of TREM-1 inhibitors for treatment, elimination and eradication of HIV-1 infection | MERTK, PNP, HAVCR2 | JAK3 85/4885JAK2 277/4885JAK1 6/4885 |
| US-11065254-B2 | Antiviral JAK inhibitors useful in treating or preventing retroviral and other viral infections | JAK1, JAK3, PNP | JAK3 2/4885JAK2 4/4885JAK1 1/4885 |
“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.