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 SCHEMBL19209580 | 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 171 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021125261-A1 | THERAPEUTIC FOR HIGH-RISK MYELODYSPLASTIC SYNDROME | 一般社団法人 東京血液疾患研究所 | 2021-06-24 | — | — | WO | claimed |
| 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 |
| CN-104800195-A | Auto magnetic metal salen complex compound | IHI CORP | 2015-07-29 | — | — | CN | claimed |
| US-20140206635-A1 | METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG | IHI CORPORATION (JP) | 2014-07-24 | — | — | US | claimed |
| EP-2738158-A1 | METAL SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC, AND ANTI-MALIGNANT TUMOR AGENT | IHI Corporation (JP) | 2014-06-04 | — | — | EP | claimed |
| CN-103781760-A | Metal salen complex compound, local anesthetic agent, and anti-malignant tumor agent | IHI CORP | 2014-05-07 | — | — | CN | claimed |
| US-20140046021-A1 | SELF-MAGNETIC METAL-SALEN COMPLEX COMPOUND | IHI CORPORATION (JP) | 2014-02-13 | — | — | US | claimed |
| CN-103547564-A | Auto-magnetic metal salen complex compound | IHI CORP | 2014-01-29 | — | — | CN | claimed |
| EP-2682384-A1 | AUTO-MAGNETIC METAL SALEN COMPLEX COMPOUND | IHI Corporation (JP) | 2014-01-08 | — | — | EP | claimed |
| US-20120029167-A1 | AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND | YOSHIHIRO ISHIKAWA (JP) | 2012-02-02 | — | — | US | claimed |
| CN-102239138-A | Self-magnetic metal salen complex | IHI CORP (JP) | 2011-11-09 | — | — | CN | claimed |
| EP-2357166-A1 | AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND | IHI Corporation (JP) | 2011-08-17 | — | — | EP | claimed |
| US-7901453-B2 | Coated implantable medical device | COOK INCORPORATED (US) | 2011-03-08 | — | — | US | claimed |
| US-20080145399-A1 | coronary stent has a multilayer coatings for controlled release of immunosuppressive agent active materials, including a porous cover layer | COOK MEDICAL TECHNOLOGIES LLC | 2008-06-19 | — | — | US | claimed |
| US-20080145398-A1 | coronary stent has a multilayer coatings for controlled release of immunosuppressive agent active materials, including a porous cover layer | WILMINGTON TRUST, NATIONAL ASSOCIATION, AS COLLATERAL AGENT | 2008-06-19 | — | — | US | claimed |
| US-20030036794-A1 | Coated implantable medical device | COOK INCORPORATED | 2003-02-20 | — | — | US | 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 (5 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-20120029167-A1 | AUTO MAGNETIC METAL SALEN COMPLEX COMPOUND | SDHB, SDHA, SLC40A1 | ALDH1A1 2998/4885HPGD 1198/4885SMN1; SMN2 114/4885 |
| US-20140206635-A1 | METAL-SALEN COMPLEX COMPOUND, LOCAL ANESTHETIC AND ANTINEOPLASTIC DRUG | NCLN, KCNN2, NCSTN | ALDH1A1 1531/4885HPGD 3189/4885SMN1; SMN2 93/4885 |
| US-20140046021-A1 | SELF-MAGNETIC METAL-SALEN COMPLEX COMPOUND | SSBP1, KCNN1, IMMT | ALDH1A1 2799/4885HPGD 1236/4885SMN1; SMN2 308/4885 |
| 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.