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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 SCHEMBL734088 | 0.58 | LMNA (0.55) | — | |
| Mercaptopurine Anhydrous SCHEMBL31379732 | 0.58 | LMNA (0.55) | — | |
| SCHEMBL4695498 | 0.48 | — | — | |
| SCHEMBL11263294 | 0.48 | — | — | |
| SCHEMBL223049 | 0.47 | — | — | |
| SCHEMBL3744556 | 0.46 | IDO1 (0.50) | — | |
| SCHEMBL940153 | 0.46 | — | — | |
| SCHEMBL15180435 | 0.44 | — | — | |
| SCHEMBL25231508 | 0.43 | ALDH1A1 (0.46) | — | |
| SCHEMBL1374558 | 0.43 | PRKCI (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070142317-A1 | Topical composition for treatment of skin disorders | QLT USA, INC. (US) | 2007-06-21 | — | — | US | disclosed |
| WO-2005065668-A2 | TOPICAL COMPOSITIONS COMPRISING HALO-DEOXYADENOSINES FOR TREATMENT OF SKIN DISORDERS | QLT USA, INC. (US) | 2005-07-21 | — | — | WO | disclosed |