Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Allopurinol. 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 | |
|---|---|---|---|---|
| ▸ | XDH known ✓ | P47989 | 2/20 | 0.59 |
| ▸ | RET | P07949 | 1/20 | 0.59 |
| ▸ | PI4KA | P42356 | 1/20 | 0.59 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.59 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.59 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.59 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.59 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.53 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.52 |
| ▸ | AURKA | O14965 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | TTBK1 | Q5TCY1 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | HPGDS | O60760 | 1/20 | 0.46 |
| ▸ | AKT2 | P31751 | 2/20 | 0.44 |
| ▸ | MKNK1 | Q9BUB5 | 3/20 | 0.44 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Allopurinol SCHEMBL4708652 | 0.98 | XDH (0.61) | XDHRETPI4KALRRK2PI4K2B | |
| Allopurinol SCHEMBL29693720 | 0.98 | XDH (0.61) | XDHRETPI4KALRRK2PI4K2B | |
| Allopurinol SCHEMBL4627 | 0.98 | XDH (0.61) | XDHRETPI4KALRRK2PI4K2B | |
| Allopurinol SCHEMBL2563568 | 0.96 | XDH (0.59) | XDHRETPI4KALRRK2PI4K2B | |
| Allopurinol SCHEMBL137084 | 0.96 | XDH (0.59) | XDHRETPI4KALRRK2PI4K2B | |
| Allopurinol SCHEMBL21362860 | 0.96 | XDH (0.59) | XDHRETPI4KALRRK2PI4K2B | |
| Allopurinol SCHEMBL6142912 | 0.96 | XDH (0.59) | XDHRETPI4KALRRK2PI4K2B | |
| Allopurinol SCHEMBL9245969 | 0.89 | CYP1A2 (0.54) | XDHRETPI4KALRRK2PI4K2B | |
| Allopurinol SCHEMBL9421599 | 0.87 | PDPK1 (0.50) | XDHRETPI4KALRRK2PI4K2B | |
| Allopurinol SCHEMBL9421602 | 0.87 | XDH (0.50) | XDHRETPI4KALRRK2PI4K2B |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6599943-B1 | Preventive treatment, related to the radical generating nature of the xanthine dehydrogenase/xanthine oxidase | WAPHARM AB (SE) | 2003-07-29 | — | — | US | disclosed |
| EP-1007025-A1 | USE OF HYDROXYGUANIDINES | Wa Pharm AB (SE) | 2000-06-14 | — | — | EP | disclosed |
| WO-1998023267-A1 | USE OF HYDROXYGUANIDINES | WAPHARM AB (SE) | 1998-06-04 | — | — | WO | disclosed |