Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KHK | P50053 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GPR35 | Q9HC97 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | GPR6 | P46095 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | CNR2 | P34972 | 1/20 | 0.31 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.31 |
| ▸ | S1PR3 | Q99500 | 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 | |
|---|---|---|---|---|
| SCHEMBL29875937 | 0.76 | KHK (0.39) | KHKALDH1A1GPR35CYP1A2CYP2C19 | |
| SCHEMBL29876818 | 0.73 | KHK (0.39) | KHKALDH1A1GPR35CYP1A2CYP2C9 | |
| SCHEMBL24610998 | 0.73 | KHK (0.50) | KHKALDH1A1GPR35CYP1A2CYP2C9 | |
| SCHEMBL30198252 | 0.71 | KEAP1 (0.59) | ALDH1A1GPR35CYP1A2CYP2C9SMN1; SMN2 | |
| SCHEMBL29876208 | 0.71 | KHK (0.37) | KHKALDH1A1GPR35 | |
| SCHEMBL29876035 | 0.71 | IDH1 (0.43) | KHKALDH1A1 | |
| SCHEMBL29876356 | 0.70 | KHK (0.36) | KHKALDH1A1GPR35NPSR1CNR2 | |
| SCHEMBL29877049 | 0.70 | KHK (0.36) | KHKALDH1A1GPR35SMN1; SMN2 | |
| SCHEMBL29876316 | 0.69 | KHK (0.36) | KHKGPR35SMN1; SMN2MAPKAPK2 | |
| SCHEMBL16390953 | 0.68 | KHK (0.51) | KHKALDH1A1CYP1A2CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-119119085-A | Substituted pyrimido ring inhibitor and preparation method and application thereof | 苏州泽璟生物制药股份有限公司 | 2024-12-13 | — | — | CN | disclosed |