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 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE3A | Q14432 | 3/20 | 0.37 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.37 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | MTOR | P42345 | 1/20 | 0.35 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.35 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.35 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.35 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.30 |
| ▸ | ALB | P02768 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.30 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.30 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL51650 | 0.84 | PDE3A (0.46) | PDE3APDE4DSLC29A1LMNATHRB | |
| SCHEMBL27544566 | 0.84 | PDE3A (0.46) | PDE3APDE4DSLC29A1LMNATHRB | |
| Pyrimidine SCHEMBL7857437 | 0.79 | PDE3A (0.41) | PDE3APDE4DSLC29A1LMNATHRB | |
| Adenine SCHEMBL14639108 | 0.73 | LMNA (0.39) | PDE3APDE4DSLC29A1LMNATHRB | |
| SCHEMBL4971926 | 0.72 | PDE3A (0.46) | PDE3APDE4DSLC29A1LMNATHRB | |
| SCHEMBL3424602 | 0.71 | PDE3A (0.47) | PDE3APDE4DSLC29A1LMNATHRB | |
| SCHEMBL1939478 | 0.71 | PDE3A (0.47) | PDE3APDE4DSLC29A1LMNATHRB | |
| SCHEMBL28379714 | 0.71 | PDE3A (0.47) | PDE3APDE4DSLC29A1LMNATHRB | |
| SCHEMBL1962181 | 0.70 | PDE3A (0.45) | PDE3APDE4DSLC29A1LMNATHRB | |
| SCHEMBL7794942 | 0.70 | PDE3A (0.46) | PDE3APDE4DSLC29A1LMNATHRB |
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-2654779-A1 | LIPOSOMAL FORMULATION OF NONGLYCOSIDIC CERAMIDES AND USES THEREOF | Ludwig Institute for Cancer Research, Ltd. (US) | 2013-10-30 | — | — | EP | disclosed |
| WO-2012088414-A1 | LIPOSOMAL FORMULATION OF NONGLYCOSIDIC CERAMIDES AND USES THEREOF | LUDWIG INSTITUTE FOR CANCER RESEARCH LTD. (US) | 2012-06-28 | — | — | WO | disclosed |