Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CCNA2 | P20248 | 4/20 | 0.38 |
| ▸ | CDK2 | P24941 | 4/20 | 0.38 |
| ▸ | CCNA1 | P78396 | 4/20 | 0.38 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.38 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.38 |
| ▸ | CDK1 | P06493 | 1/20 | 0.38 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.38 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.38 |
| ▸ | SYK | P43405 | 2/20 | 0.37 |
| ▸ | CD38 | P28907 | 1/20 | 0.37 |
| ▸ | CCNC | P24863 | 2/20 | 0.36 |
| ▸ | CDK8 | P49336 | 2/20 | 0.36 |
| ▸ | GRK6 | P43250 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.35 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL22554078 | 1.00 | NPC1 (0.39) | NPC1CCNA2CDK2CCNA1CCNB2 | |
| SCHEMBL22553760 | 0.87 | PRKAB2 (0.40) | NPC1CD38CCNCCDK8GRK6 | |
| SCHEMBL30730822 | 0.87 | PRKAB2 (0.40) | NPC1CD38CCNCCDK8GRK6 | |
| SCHEMBL22554127 | 0.84 | SMN1; SMN2 (0.43) | NPC1SYKCD38CCNCCDK8 | |
| SCHEMBL30730783 | 0.84 | SMN1; SMN2 (0.43) | NPC1SYKCD38CCNCCDK8 | |
| SCHEMBL22554014 | 0.84 | PRKAB2 (0.36) | NPC1CCNA2CDK2CCNA1CCNB2 | |
| SCHEMBL22553955 | 0.82 | PIM1 (0.42) | NPC1CD38CCNCCDK8PIM1 | |
| SCHEMBL22553920 | 0.79 | TNIK (0.40) | NPC1SYKCD38CCNCCDK8 | |
| SCHEMBL22553876 | 0.77 | CD38 (0.43) | NPC1SYKCD38CCNCCDK8 | |
| SCHEMBL30730831 | 0.77 | CD38 (0.43) | NPC1SYKCD38CCNCCDK8 |
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-112088157-B | Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors | 拉文纳制药公司 | 2023-12-26 | — | — | CN | claimed |
| CN-112088157-B | Aryl-bipyridylamine derivatives as phosphatidylinositol phosphokinase inhibitors | 拉文纳制药公司 | 2023-12-26 | — | — | CN | disclosed |