Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE4A | P27815 | 3/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 3/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 3/20 | 0.38 |
| ▸ | BRAF | P15056 | 1/20 | 0.34 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.34 |
| ▸ | TNNI3K | Q59H18 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | CXCR1 | P25024 | 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 | |
|---|---|---|---|---|
| SCHEMBL30513347 | 1.00 | PDE4A (0.38) | PDE4APDE4CPDE4DBRAFKDR | |
| SCHEMBL538501 | 0.76 | PDE4A (0.44) | PDE4APDE4CPDE4DPTGS1PTGS2 | |
| SCHEMBL7383947 | 0.76 | CYP2D6 (0.50) | CA1CA2CXCR2CXCR1 | |
| SCHEMBL5262605 | 0.76 | GRM5 (0.39) | CA1CA2HSP90AA1 | |
| SCHEMBL5308131 | 0.75 | CA2 (0.42) | PTGS1PTGS2CA1CA2CXCR2 | |
| SCHEMBL22124736 | 0.74 | PDE4A (0.40) | PDE4APDE4CPDE4DCA1CA2 | |
| SCHEMBL29506049 | 0.73 | KDM4E (0.37) | PDE4APDE4CPDE4DPTGS1PTGS2 | |
| SCHEMBL7952665 | 0.73 | CA1 (0.39) | PDE4APDE4CPDE4DCA1CA2 | |
| SCHEMBL28265798 | 0.73 | CYP2D6 (0.36) | CA1CA2HSP90AA1 | |
| SCHEMBL27141135 | 0.73 | KDM4E (0.37) | PDE4APDE4CPDE4DPTGS1PTGS2 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119119085-A | Substituted pyrimido ring inhibitor and preparation method and application thereof | 苏州泽璟生物制药股份有限公司 | 2024-12-13 | — | — | CN | disclosed |
| WO-2024046370-A1 | HETEROCYCLIC COMPOUNDS AS KRAS INHIBITORS, AND PREPARATION AND THERAPEUTIC USE THEREOF | 上海科州药物研发有限公司 | 2024-03-07 | — | — | WO | disclosed |
| CN-116601151-A | Crystalline forms of a KRAS G12C inhibitor | 米拉蒂治疗股份有限公司 | 2023-08-15 | — | — | CN | disclosed |
| CN-104768932-B | The heteroaryl inhibitors of PDE4 | 泰特拉探索合伙有限责任公司 | 2018-08-07 | — | — | CN | disclosed |
| CN-107148420-A | Benzyl substituted indazoles | 拜耳制药股份公司 | 2017-09-08 | — | — | CN | disclosed |
| CN-104768932-A | Heteroaryl inhibitors of PDE4 | TETRA DISCOVERY PARTNERS LLC | 2015-07-08 | — | — | CN | disclosed |