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 | 4/20 | 0.57 |
| ▸ | HPGD | P15428 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | HBB | P68871 | 3/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.57 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.36 |
| ▸ | POLA1 | P09884 | 1/20 | 0.33 |
| ▸ | PDE4A | P27815 | 3/20 | 0.33 |
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 SCHEMBL1498067 | 1.00 | ALDH1A1 (0.57) | ALDH1A1HPGDKDM4EHBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL3893 | 0.76 | ALDH1A1 (1.00) | ALDH1A1HPGDKDM4EHBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL18264092 | 0.74 | ALDH1A1 (0.95) | ALDH1A1HPGDKDM4EHBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL671497 | 0.74 | ALDH1A1 (0.95) | ALDH1A1HPGDKDM4EHBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL316717 | 0.74 | ALDH1A1 (0.95) | ALDH1A1HPGDKDM4EHBBTP53 | |
| Mercaptopurine Anhydrous SCHEMBL19209580 | 0.74 | ALDH1A1 (0.95) | ALDH1A1HPGDKDM4EHBBTP53 | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL2301571 | 0.66 | KDM4E (1.00) | ALDH1A1KDM4EHBBTP53PTGS1 | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL7993 | 0.66 | — | — | |
| Mercaptopurine Anhydrous SCHEMBL12476115 | 0.65 | ALDH1A1 (0.74) | ALDH1A1HPGDKDM4EHBBTP53 | |
| 2-Mercaptoethanesulfonic Acid SCHEMBL21333894 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007149103-A2 | VASCULAR TISSUE ENHANCEMENT AND SELECTIVE DESTRUCTION OF CANCEROUS CELLULAR TISSUE | KAISER DANIEL E (US) | 2007-12-27 | — | — | WO | claimed |
| WO-2007103288-A2 | ENGINEERED ANTIBODY DRUG CONJUGATES | SEATTLE GENETICS, INC. (US) | 2007-09-13 | — | — | WO | disclosed |