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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | P2RY14 | Q15391 | 5/20 | 0.35 |
| ▸ | B4GALT1 | P15291 | 1/20 | 0.35 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.34 |
| ▸ | P2RY2 | P41231 | 4/20 | 0.34 |
| ▸ | P2RY6 | Q15077 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | P2RY4 | P51582 | 3/20 | 0.33 |
| ▸ | PNP | P00491 | 1/20 | 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 | |
|---|---|---|---|---|
| Adenine SCHEMBL2168804 | 0.87 | PI4KA (0.47) | ADORA1 | |
| Ribose (Furanose) SCHEMBL7680729 | 0.83 | CYP3A4 (0.39) | PNP | |
| Ribose (Furanose) SCHEMBL831005 | 0.83 | CYP3A4 (0.39) | PNP | |
| Mercaptopurine Anhydrous SCHEMBL8627151 | 0.81 | FBP1 (0.44) | ADORA1P2RY2 | |
| SCHEMBL97672 | 0.75 | PDPK1 (0.46) | ALDH1A1 | |
| SCHEMBL568026 | 0.75 | PDPK1 (0.46) | ALDH1A1 | |
| SCHEMBL17554435 | 0.74 | FBP1 (0.46) | — | |
| SCHEMBL14783446 | 0.74 | FBP1 (0.46) | — | |
| SCHEMBL1995711 | 0.74 | FBP1 (0.46) | — | |
| SCHEMBL216723 | 0.74 | FBP1 (0.46) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4847240-A | CATIONIC POLYMERS AS TRANSPORT CARRIERS | THE TRUSTEES OF BOSTON UNIVERSITY (US) | 1989-07-11 | — | — | US | disclosed |
| US-4701521-A | BONDING TO CATIONIC POLYMER | THE TRUSTEES OF BOSTON UNIVERSITY (US) | 1987-10-20 | — | — | US | disclosed |
| EP-0009498-B1 | EFFECTING CELLULAR UPTAKE OF MOLECULES | TRUSTEES OF BOSTON UNIVERSITY (US) | 1984-06-27 | — | — | EP | disclosed |
| EP-0009498-A4 | EFFECTING CELLULAR UPTAKE OF MOLECULES. | UNIV BOSTON (US) | 1980-10-16 | — | — | EP | disclosed |
| EP-0009498-A1 | EFFECTING CELLULAR UPTAKE OF MOLECULES. | UNIV BOSTON (US) | 1980-04-16 | — | — | EP | disclosed |
| WO-1979000515-A1 | METHOD OF EFFECTING CELLULAR UPTAKE OF MOLECULES | UNIV BOSTON (US) | 1979-08-09 | — | — | WO | disclosed |