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 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCNE2 | O96020 | 2/20 | 0.30 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.30 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| Allopurinol SCHEMBL167561 | 0.98 | CCNE2 (0.31) | CCNE2CCNE1CDK2 | |
| Hydrochloric Acid SCHEMBL14742344 | 0.75 | PI4KA (0.44) | — | |
| 4-Hydroxyphenylpyruvic Acid SCHEMBL27347970 | 0.74 | FNTA (0.41) | CCNE2CCNE1CDK2 | |
| SCHEMBL4975500 | 0.72 | — | — | |
| SCHEMBL1128530 | 0.72 | PDE4A (0.38) | — | |
| SCHEMBL17477110 | 0.72 | — | — | |
| Oxypurinol SCHEMBL2077651 | 0.68 | — | — | |
| SCHEMBL6839389 | 0.68 | TP53 (0.46) | — | |
| SCHEMBL14487000 | 0.67 | CCNE2 (0.33) | CCNE2CCNE1CDK2 | |
| SCHEMBL13369826 | 0.64 | — | — |
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-2560962-A1 | INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS | Janssen Pharmaceutica NV (BE) | 2013-02-27 | — | — | EP | disclosed |
| WO-2011133750-A1 | INDAZOLE COMPOUNDS USEFUL AS KETOHEXOKINASE INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2011-10-27 | — | — | WO | disclosed |