Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GBA1 | P04062 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | PDE4A | P27815 | 2/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 2/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 2/20 | 0.38 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.38 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 1/20 | 0.37 |
| ▸ | KIT | P10721 | 2/20 | 0.37 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.36 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | CKS1B | P61024 | 2/20 | 0.36 |
| ▸ | SKP1 | P63208 | 2/20 | 0.36 |
| ▸ | SKP2 | Q13309 | 2/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | SPR | P35270 | 1/20 | 0.35 |
| ▸ | OPRM1 | P35372 | 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 | |
|---|---|---|---|---|
| SCHEMBL23979677 | 0.94 | CXCR2 (0.39) | GBA1CXCR2CCNA2CDK2KIT | |
| SCHEMBL8340940 | 0.85 | GBA1 (0.41) | GBA1CHRM3PDE4APDE4BPDE4C | |
| SCHEMBL21722183 | 0.83 | GBA1 (0.44) | GBA1CXCR2CCNA2CDK2CKS1B | |
| SCHEMBL2796064 | 0.80 | KIT (0.49) | GBA1KITGRIA1CKS1BSKP1 | |
| SCHEMBL19949022 | 0.79 | CCNA2 (0.41) | GBA1CXCR2CCNA2CDK2KIT | |
| SCHEMBL25771136 | 0.75 | CXCR2 (0.38) | GBA1CXCR2CCNA2CDK2KIT | |
| SCHEMBL30177806 | 0.74 | CCNA2 (0.39) | GBA1CXCR2CCNA2CDK2KIT | |
| SCHEMBL21722244 | 0.74 | CCNA2 (0.39) | GBA1CXCR2CCNA2CDK2KIT | |
| SCHEMBL21935475 | 0.74 | DDB1 (0.44) | KITDDB1CRBNCKS1BSKP1 | |
| SCHEMBL23979710 | 0.72 | CHRNA7 (0.41) | GBA1CXCR2CCNA2CDK2KIT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021219072-A1 | PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR | 上海科州药物研发有限公司 (CN) | 2021-11-04 | — | — | WO | disclosed |