Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHEK1 | O14757 | 1/20 | 0.65 |
| ▸ | AURKA | O14965 | 1/20 | 0.65 |
| ▸ | CSF1R | P07333 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.49 |
| ▸ | RET | P07949 | 1/20 | 0.49 |
| ▸ | PI4KA | P42356 | 1/20 | 0.49 |
| ▸ | XDH | P47989 | 1/20 | 0.49 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.49 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.49 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.49 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | HPGDS | O60760 | 1/20 | 0.40 |
| ▸ | SLC29A1 | Q99808 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 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 | |
|---|---|---|---|---|
| SCHEMBL13717980 | 0.79 | CHEK1 (1.00) | CHEK1AURKACSF1RALDH1A1L3MBTL1 | |
| SCHEMBL8117275 | 0.72 | CSF1R (0.71) | CHEK1AURKACSF1RALDH1A1L3MBTL1 | |
| SCHEMBL10226489 | 0.72 | ALDH1A1 (0.56) | CHEK1AURKACSF1RALDH1A1L3MBTL1 | |
| SCHEMBL9667930 | 0.70 | CSF1R (0.65) | CHEK1AURKACSF1RALDH1A1L3MBTL1 | |
| SCHEMBL12352811 | 0.69 | ALDH1A1 (0.53) | CHEK1AURKACSF1RALDH1A1PDPK1 | |
| Allopurinol SCHEMBL9245969 | 0.69 | CYP1A2 (0.54) | CHEK1AURKACSF1RALDH1A1L3MBTL1 | |
| SCHEMBL2619226 | 0.69 | RET (0.61) | CHEK1AURKACSF1RALDH1A1L3MBTL1 | |
| SCHEMBL14347072 | 0.68 | JAK3 (0.63) | CHEK1AURKACSF1RL3MBTL1HPGDS | |
| SCHEMBL6278275 | 0.67 | L3MBTL1 (0.53) | CHEK1AURKACSF1RL3MBTL1PDPK1 | |
| SCHEMBL11363 | 0.66 | XDH (1.00) | CHEK1AURKACSF1RALDH1A1PDPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112826821-B | Application of allopurinol derivative in preparation of medicine for preventing and/or treating diabetes | 成都阿奇生物医药科技有限公司 | 2022-09-16 | — | — | CN | disclosed |
| CN-112826821-A | Application of allopurinol derivative in preparation of medicine for preventing and/or treating diabetes | 成都阿奇生物医药科技有限公司 | 2021-05-25 | — | — | CN | disclosed |