Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.31 |
| ▸ | GRM2 | Q14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL20356531 | 0.77 | TYMS (0.34) | KEAP1 | |
| SCHEMBL20356533 | 0.77 | HTR1A (0.33) | — | |
| SCHEMBL16506376 | 0.77 | PDE10A (0.38) | PDPK1SLC9A1KEAP1PDE10A | |
| SCHEMBL31439989 | 0.75 | BACE1 (0.38) | PDPK1SLC9A1KEAP1PDE10A | |
| SCHEMBL31211051 | 0.71 | PDPK1 (0.34) | PDPK1SLC9A1KEAP1PDE10AGRM2 | |
| SCHEMBL10129331 | 0.71 | ADORA3 (0.43) | SLC9A1KEAP1 | |
| SCHEMBL17459798 | 0.68 | HTT (0.42) | — | |
| SCHEMBL20356293 | 0.68 | CDK4 (0.31) | — | |
| SCHEMBL20604737 | 0.67 | CYP1A2 (0.40) | — | |
| SCHEMBL23068096 | 0.67 | SLC2A1 (0.34) | — |
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-108264512-A | Nitrogenous fused heterocyclic compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2018-07-10 | — | — | CN | disclosed |
| CN-105111191-B | It is a kind of to be used to synthesize key intermediate of CDK9 inhibitor and its preparation method and application | 上海皓元生物医药科技有限公司 | 2018-06-08 | — | — | CN | disclosed |