Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.42 |
| ▸ | CDK2 | P24941 | 2/20 | 0.42 |
| ▸ | CDK5 | Q00535 | 2/20 | 0.42 |
| ▸ | CDK5R1 | Q15078 | 2/20 | 0.42 |
| ▸ | USP30 | Q70CQ3 | 6/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | SCN9A | Q15858 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | SCN5A | Q14524 | 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 | |
|---|---|---|---|---|
| SCHEMBL30604687 | 0.94 | CCNA2 (0.45) | BACE1CCNA2CDK2CDK5CDK5R1 | |
| SCHEMBL29085165 | 0.94 | CCNA2 (0.45) | BACE1CCNA2CDK2CDK5CDK5R1 | |
| SCHEMBL29085252 | 0.94 | CCNA2 (0.45) | BACE1CCNA2CDK2CDK5CDK5R1 | |
| SCHEMBL29085245 | 0.88 | BACE1 (0.45) | BACE1CCNA2CDK2CDK5CDK5R1 | |
| SCHEMBL27202813 | 0.87 | BACE1 (0.47) | BACE1CCNA2CDK2CDK5CDK5R1 | |
| SCHEMBL25234852 | 0.83 | BACE1 (0.48) | BACE1CCNA2CDK2CDK5CDK5R1 | |
| SCHEMBL31042189 | 0.83 | BACE1 (0.48) | BACE1CCNA2CDK2CDK5CDK5R1 | |
| SCHEMBL30064539 | 0.83 | SCN9A (0.42) | SCN9APARP1SCN7AKCNH2SCN5A | |
| SCHEMBL29085193 | 0.81 | MAPT (0.54) | USP30ALDH1A1PARP1MEN1MAPT | |
| SCHEMBL30604698 | 0.81 | MAPT (0.54) | USP30ALDH1A1PARP1MEN1MAPT |
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-116867783-A | Pyridine derivative and application thereof in medicine | 成都百裕制药股份有限公司 | 2023-10-10 | — | — | CN | disclosed |
| WO-2022222964-A1 | PYRIDINE DERIVATIVE AND USE THEREOF IN MEDICINE | 成都百裕制药股份有限公司 | 2022-10-27 | — | — | WO | disclosed |