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 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PARP1 | P09874 | 9/20 | 0.41 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.41 |
| ▸ | SRC | P12931 | 1/20 | 0.41 |
| ▸ | KDM4A | O75164 | 1/20 | 0.38 |
| ▸ | KDM4B | O94953 | 1/20 | 0.38 |
| ▸ | KDM5C | P41229 | 1/20 | 0.38 |
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 SCHEMBL3739112 | 0.98 | ALDH1A1 (0.50) | ALDH1A1SMN1; SMN2LMNATSHRADORA2A | |
| Allopurinol SCHEMBL28352828 | 0.84 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2LMNATSHRADORA2A | |
| Tisopurine SCHEMBL7483294 | 0.73 | PPARG (0.34) | ALDH1A1RAB9A | |
| Hypoxanthine SCHEMBL560392 | 0.69 | ALDH1A1 (0.95) | ALDH1A1SMN1; SMN2LMNATSHRADORA2A | |
| Hydrochloric Acid SCHEMBL22119382 | 0.68 | PARP1 (0.41) | ALDH1A1SMN1; SMN2PARP1PDPK1CA12 | |
| Hypoxanthine SCHEMBL30096461 | 0.66 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2LMNATSHRADORA2A | |
| Hypoxanthine SCHEMBL25381 | 0.66 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2LMNATSHRADORA2A | |
| Hypoxanthine SCHEMBL7037918 | 0.66 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2LMNATSHRADORA2A | |
| SCHEMBL11263950 | 0.66 | MKNK1 (0.53) | ALDH1A1SMN1; SMN2PARP1PDPK1CA12 | |
| SCHEMBL969982 | 0.65 | PARP1 (0.42) | ALDH1A1SMN1; SMN2PARP1PDPK1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112513050-A | Heterocyclic compounds inhibiting SHP2 activity | 大鹏药品工业株式会社 | 2021-03-16 | — | — | 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 |