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 | 2/20 | 0.42 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.38 |
| ▸ | PI4KA | P42356 | 2/20 | 0.38 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.38 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.38 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | AKT2 | P31751 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 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 SCHEMBL3895 | 0.81 | ALDH1A1 (0.54) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| Mercaptopurine Anhydrous SCHEMBL141410 | 0.79 | ALDH1A1 (0.52) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| Mercaptopurine Anhydrous SCHEMBL29112128 | 0.78 | ALDH1A1 (0.48) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| Mercaptopurine Anhydrous SCHEMBL4447613 | 0.76 | ALDH1A1 (0.69) | ALDH1A1LMNAXDHTDP1SMN1; SMN2 | |
| Mercaptopurine Anhydrous SCHEMBL4447615 | 0.76 | MKNK1 (0.47) | MKNK1HDAC1HDAC2PI4KAPI4K2B | |
| Mercaptopurine Anhydrous SCHEMBL6558420 | 0.72 | F7 (0.58) | ALDH1A1MKNK1HDAC1BRD4CYP3A4 | |
| Mercaptopurine Anhydrous SCHEMBL12476115 | 0.71 | ALDH1A1 (0.74) | ALDH1A1PI4KAPI4K2BPI4K2API4KB | |
| SCHEMBL5437612 | 0.68 | BRD4 (0.62) | MKNK1BRD4SMN1; SMN2TP53BRAF | |
| Hypoxanthine SCHEMBL375713 | 0.64 | ALDH1A1 (0.75) | ALDH1A1MKNK1PI4KAPI4K2BPI4K2A | |
| Mercaptopurine Anhydrous SCHEMBL16347818 | 0.64 | PI4KA (0.41) | ALDH1A1PI4KAPI4K2BPI4K2API4KB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105121407-B | Benzoic acid derivative MDM2 inhibitor for treating cancer | 美国安进公司 | 2017-07-18 | — | — | CN | disclosed |