Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAMPT | P43490 | 1/20 | 0.50 |
| ▸ | CFTR | P13569 | 2/20 | 0.49 |
| ▸ | CKS1B | P61024 | 1/20 | 0.49 |
| ▸ | SKP1 | P63208 | 1/20 | 0.49 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 3/20 | 0.47 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.43 |
| ▸ | AKT1 | P31749 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.43 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.43 |
| ▸ | MERTK | Q12866 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | NPC1L1 | Q9UHC9 | 1/20 | 0.42 |
| ▸ | KDM1A | O60341 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29484598 | 1.00 | NAMPT (0.50) | NAMPTCFTRCKS1BSKP1SKP2 | |
| SCHEMBL25882312 | 1.00 | NAMPT (0.50) | NAMPTCFTRCKS1BSKP1SKP2 | |
| SCHEMBL30471161 | 0.86 | ALDH1A1 (0.42) | ADORA2BCCNT1CCNA2CDK2CDK9 | |
| SCHEMBL25311631 | 0.86 | EPHX2 (0.48) | EPHX2CDK2 | |
| SCHEMBL25879044 | 0.85 | EPHX2 (0.47) | EPHX2CCNA2CDK2CCNA1 | |
| SCHEMBL25883636 | 0.84 | NAMPT (0.52) | NAMPTCFTRCKS1BSKP1SKP2 | |
| SCHEMBL30471249 | 0.84 | NAMPT (0.52) | NAMPTCFTRCKS1BSKP1SKP2 | |
| SCHEMBL29466333 | 0.84 | CCNA2 (0.54) | CFTRCKS1BSKP1SKP2CCNT1 | |
| SCHEMBL25882559 | 0.84 | CCNA2 (0.54) | CFTRCKS1BSKP1SKP2CCNT1 | |
| SCHEMBL29466335 | 0.80 | GSK3A (0.50) | CDK2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022057932-A1 | CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2022-03-24 | — | — | WO | disclosed |
| WO-2022057928-A1 | CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2022-03-24 | — | — | WO | disclosed |