Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK2 | Q15119 | 4/20 | 0.48 |
| ▸ | KDM5A | P29375 | 1/20 | 0.44 |
| ▸ | KDM5C | P41229 | 1/20 | 0.44 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.44 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | GABRG2 | P18507 | 6/20 | 0.41 |
| ▸ | GABRB3 | P28472 | 6/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 4/20 | 0.41 |
| ▸ | GABRA3 | P34903 | 4/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.41 |
| ▸ | EP300 | Q09472 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.41 |
| ▸ | GABRA2 | P47869 | 4/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | TBK1 | Q9UHD2 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | PTPN5 | P54829 | 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 | |
|---|---|---|---|---|
| SCHEMBL23753798 | 0.80 | CNR1 (0.52) | PDK2ESR2GABRG2GABRB3GABRA5 | |
| SCHEMBL30331886 | 0.78 | CNR2 (0.45) | PDK2KDM5AKDM5CKDM4CKDM5B | |
| SCHEMBL30332122 | 0.73 | PDK2 (0.48) | PDK2BRD4CREBBPEP300 | |
| SCHEMBL30332345 | 0.72 | PDK2 (0.49) | PDK2ESR2GABRG2GABRB3GABRA5 | |
| SCHEMBL30932023 | 0.71 | KDM5A (0.39) | PDK2KDM5AKDM5CKDM4CKDM5B | |
| SCHEMBL31130940 | 0.71 | RET (0.41) | — | |
| SCHEMBL5219316 | 0.70 | GRM5 (0.61) | ESR2GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL30796163 | 0.70 | GRM5 (0.61) | ESR2GABRG2GABRB3GABRA5GABRA3 | |
| SCHEMBL14231513 | 0.68 | ESR2 (0.56) | PDK2ESR2GABRG2GABRB3GABRA5 | |
| SCHEMBL18045672 | 0.68 | GRM4 (0.60) | PDK2 |
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-2023046128-A1 | A CYCLIN-DEPENDENT KINASE INHIBITOR | Taizhou Eoc Pharma Co., Ltd. (CN) | 2023-03-30 | — | — | WO | disclosed |