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 | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.37 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.37 |
| ▸ | MARK3 | P27448 | 1/20 | 0.37 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.37 |
| ▸ | PRKCD | Q05655 | 1/20 | 0.37 |
| ▸ | MARK2 | Q7KZI7 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.36 |
| ▸ | PI4KA | P42356 | 2/20 | 0.36 |
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 SCHEMBL4456159 | 0.99 | HTT (0.38) | HTTLMNAPDPK1LRRK2CDK2 | |
| Ribose (Furanose) SCHEMBL831005 | 0.82 | CYP3A4 (0.39) | HTTLMNAPDPK1LRRK2CDK2 | |
| Ribose (Furanose) SCHEMBL7680729 | 0.82 | CYP3A4 (0.39) | HTTLMNAPDPK1LRRK2CDK2 | |
| Glucuronate SCHEMBL8199162 | 0.81 | BRD4 (0.36) | HTTLMNALRRK2CDK2AURKA | |
| Mercaptopurine Anhydrous SCHEMBL8844 | 0.76 | LMNA (0.57) | HTTLMNAPDPK1LRRK2CDK2 | |
| Mercaptopurine Anhydrous SCHEMBL29684795 | 0.76 | LMNA (0.57) | HTTLMNAPDPK1LRRK2CDK2 | |
| Mercaptopurine Anhydrous SCHEMBL30834915 | 0.74 | LMNA (0.55) | HTTLMNAPDPK1LRRK2CDK2 | |
| Mercaptopurine Anhydrous SCHEMBL31379732 | 0.74 | LMNA (0.55) | HTTLMNAPDPK1LRRK2CDK2 | |
| Mercaptopurine Anhydrous SCHEMBL734088 | 0.74 | LMNA (0.55) | HTTLMNAPDPK1LRRK2CDK2 | |
| Mercaptopurine Anhydrous SCHEMBL5144254 | 0.74 | LMNA (0.55) | HTTLMNAPDPK1LRRK2CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0595133-B1 | Prodrugs, their preparation and use as medicaments | SANOFI AVENTIS DEUTSCHLAND (DE) | 2011-01-05 | — | — | EP | disclosed |
| EP-0595133-A2 | Prodrugs, their preparation and use as medicaments | BEHRINGWERKE Aktiengesellschaft (DE) | 1994-05-04 | — | — | EP | disclosed |