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 | 0.96 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.96 |
| ▸ | LMNA | P02545 | 1/20 | 0.96 |
| ▸ | TSHR | P16473 | 1/20 | 0.96 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.96 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.96 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.96 |
| ▸ | RAB9A | P51151 | 1/20 | 0.96 |
| ▸ | BLM | P54132 | 1/20 | 0.96 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | RET | P07949 | 1/20 | 0.42 |
| ▸ | PI4KA | P42356 | 1/20 | 0.42 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.42 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.42 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.42 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.42 |
| ▸ | KDM4A | O75164 | 2/20 | 0.42 |
| ▸ | KDM4B | O94953 | 2/20 | 0.42 |
| ▸ | KDM5C | P41229 | 2/20 | 0.42 |
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 SCHEMBL4628 | 0.98 | SMN1; SMN2 (1.00) | SMN1; SMN2XDHLMNATSHRADORA2A | |
| Allopurinol SCHEMBL7202471 | 0.96 | SMN1; SMN2 (0.96) | SMN1; SMN2XDHLMNATSHRADORA2A | |
| Allopurinol SCHEMBL27973687 | 0.96 | SMN1; SMN2 (0.96) | SMN1; SMN2XDHLMNATSHRADORA2A | |
| Allopurinol SCHEMBL29793328 | 0.96 | SMN1; SMN2 (0.96) | SMN1; SMN2XDHLMNATSHRADORA2A | |
| Allopurinol SCHEMBL137085 | 0.96 | SMN1; SMN2 (0.96) | SMN1; SMN2XDHLMNATSHRADORA2A | |
| Allopurinol SCHEMBL28345614 | 0.94 | SMN1; SMN2 (0.92) | SMN1; SMN2XDHLMNATSHRADORA2A | |
| Allopurinol SCHEMBL9245971 | 0.88 | SMN1; SMN2 (0.80) | SMN1; SMN2XDHLMNATSHRADORA2A | |
| Allopurinol SCHEMBL3424532 | 0.84 | XDH (0.73) | SMN1; SMN2XDHLMNATSHRADORA2A | |
| Allopurinol SCHEMBL2323594 | 0.84 | SMN1; SMN2 (0.73) | SMN1; SMN2XDHLMNATSHRADORA2A | |
| Altretamine SCHEMBL27937125 | 0.84 | SMN1; SMN2 (0.73) | SMN1; SMN2XDHLMNATSHRADORA2A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111356687-A | Pyrimidine-containing tri-substituted imidazole compound and application thereof | 广州必贝特医药技术有限公司 | 2020-06-30 | — | — | CN | disclosed |
| CN-110914267-A | Pyrimidopyridone or pyridopyridone compound and application thereof | 江苏奥赛康药业有限公司 | 2020-03-24 | — | — | CN | disclosed |
| CN-106810553-B | 3- (4, 5-substituted aminopyrimidine) phenyl derivative and application thereof | 江苏正大丰海制药有限公司 | 2020-03-17 | — | — | CN | disclosed |
| CN-108473434-A | Substituted quinolone analog derivative or its pharmaceutically acceptable salt or stereoisomer and its Pharmaceutical composition and application | 暨南大学 | 2018-08-31 | — | — | CN | disclosed |
| 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 |