Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Oxypurinol. 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 | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 12/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TNKS2 | Q9H2K2 | 10/20 | 0.35 |
| ▸ | TNKS | O95271 | 9/20 | 0.35 |
| ▸ | GUSB | P08236 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | QTRT1 | Q9BXR0 | 1/20 | 0.31 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.31 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | PADI4 | Q9UM07 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8278866 | 0.77 | PARP1 (0.46) | PARP1KDM4ECYP1A2CYP2D6CYP2C9 | |
| SCHEMBL19236510 | 0.77 | CYP1A2 (0.49) | KDM4ECYP1A2HPGDQTRT1ALDH1A1 | |
| SCHEMBL31591432 | 0.70 | NPC1 (0.50) | PARP1KDM4ECYP1A2TNKS2TNKS | |
| Oxypurinol SCHEMBL8258318 | 0.69 | KDM4E (0.31) | KDM4E | |
| SCHEMBL11794359 | 0.68 | HCAR2 (0.61) | PARP1HCAR2 | |
| SCHEMBL31591419 | 0.67 | TNKS2 (0.41) | PARP1KDM4ETNKS2TNKSGUSB | |
| Benzoylenurea SCHEMBL5110914 | 0.67 | TNKS2 (0.61) | PARP1KDM4ETNKS2TNKSGUSB | |
| SCHEMBL30307855 | 0.66 | TSHR (0.48) | KDM4ETNKS2TNKSHPGDGAA | |
| Oxypurinol SCHEMBL2077651 | 0.65 | — | — | |
| SCHEMBL7505109 | 0.64 | ALDH1A1 (0.31) | PARP1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006083687-A1 | CRYSTAL SALT OF XANTHINE OXIDASE INHIBITORS | CARDIOME PHARMA CORP. (CA) | 2006-08-10 | — | — | WO | disclosed |