Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Mercaptopurine Anhydrous. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.95 |
| ▸ | HPGD | P15428 | 4/20 | 0.95 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.95 |
| ▸ | HBB | P68871 | 3/20 | 0.95 |
| ▸ | TP53 | P04637 | 2/20 | 0.95 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.95 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.95 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.95 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.52 |
| ▸ | XDH | P47989 | 1/20 | 0.52 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.52 |
| ▸ | RXFP1 | Q9HBX9 | 4/20 | 0.44 |
| ▸ | PRNP | P04156 | 2/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.38 |
| ▸ | PDE4A | P27815 | 3/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 3/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Mercaptopurine Anhydrous SCHEMBL316717 | 1.00 | ALDH1A1 (0.95) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL671497 | 0.95 | ALDH1A1 (0.95) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL12476115 | 0.84 | ALDH1A1 (0.74) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL16347817 | 0.80 | ALDH1A1 (0.67) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL12476114 | 0.77 | ALDH1A1 (0.62) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL4582542 | 0.74 | ALDH1A1 (0.57) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL1498067 | 0.74 | ALDH1A1 (0.57) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL5323979 | 0.74 | ALDH1A1 (0.57) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL14691260 | 0.72 | ALDH1A1 (0.54) | ALDH1A1HPGDSMN1; SMN2HBBTP53 | |
| Hypoxanthine SCHEMBL6673819 | 0.71 | ALDH1A1 (0.52) | ALDH1A1HPGDSMN1; SMN2HBBTP53 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3411039-B1 | MERCAPTOPURINE HEMIHYDRATE | UNIV MICHIGAN REGENTS (US) | 2020-06-24 | — | — | EP | claimed |
| US-10590137-B2 | Mercaptopurine hemihydrate | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2020-03-17 | — | — | US | claimed |
| US-20190048010-A1 | Mercaptopurine Hemihydrate | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2019-02-14 | — | — | US | claimed |
| EP-3411039-A1 | MERCAPTOPURINE HEMIHYDRATE | The Regents of The University of Michigan (US) | 2018-12-12 | — | — | EP | claimed |
| WO-2017136488-A1 | MERCAPTOPURINE HEMIHYDRATE | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-08-10 | — | — | WO | claimed |
| EP-3411039-B1 | MERCAPTOPURINE HEMIHYDRATE | UNIV MICHIGAN REGENTS (US) | 2020-06-24 | — | — | EP | disclosed |
| EP-3411039-B1 | MERCAPTOPURINE HEMIHYDRATE | UNIV MICHIGAN REGENTS (US) | 2020-06-24 | — | — | EP | disclosed |
| US-10590137-B2 | Mercaptopurine hemihydrate | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2020-03-17 | — | — | US | disclosed |
| US-10590137-B2 | Mercaptopurine hemihydrate | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2020-03-17 | — | — | US | disclosed |
| EP-3411039-A4 | MERCAPTOPURINE HEMIHYDRATE | The Regents of The University of Michigan (US) | 2019-07-10 | — | — | EP | disclosed |
| US-20190048010-A1 | Mercaptopurine Hemihydrate | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2019-02-14 | — | — | US | disclosed |
| US-20190048010-A1 | Mercaptopurine Hemihydrate | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2019-02-14 | — | — | US | disclosed |
| EP-3411039-A1 | MERCAPTOPURINE HEMIHYDRATE | The Regents of The University of Michigan (US) | 2018-12-12 | — | — | EP | disclosed |
| EP-3411039-A1 | MERCAPTOPURINE HEMIHYDRATE | The Regents of The University of Michigan (US) | 2018-12-12 | — | — | EP | disclosed |
| WO-2017136488-A1 | MERCAPTOPURINE HEMIHYDRATE | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-08-10 | — | — | WO | disclosed |
| WO-2017136488-A1 | MERCAPTOPURINE HEMIHYDRATE | THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) | 2017-08-10 | — | — | WO | 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 (2 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-10590137-B2 | Mercaptopurine hemihydrate | TPMT, MTHFD2, MSH2 | ALDH1A1 267/4885HPGD 207/4885SMN1; SMN2 1567/4885 |
| US-20190048010-A1 | Mercaptopurine Hemihydrate | TPMT, MTHFD2, MSH2 | ALDH1A1 267/4885HPGD 207/4885SMN1; SMN2 1567/4885 |
“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.