Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR9 | Q9NR96 | 4/20 | 0.49 |
| ▸ | JAK2 | O60674 | 2/20 | 0.49 |
| ▸ | JAK3 | P52333 | 2/20 | 0.49 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.49 |
| ▸ | CDK2 | P24941 | 2/20 | 0.49 |
| ▸ | CDK9 | P50750 | 2/20 | 0.49 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.49 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.49 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.48 |
| ▸ | KIT | P10721 | 1/20 | 0.48 |
| ▸ | FLT3 | P36888 | 1/20 | 0.48 |
| ▸ | CCND3 | P30281 | 2/20 | 0.48 |
| ▸ | CCNK | O75909 | 1/20 | 0.48 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.48 |
| ▸ | CDK4 | P11802 | 1/20 | 0.46 |
| ▸ | CCND1 | P24385 | 1/20 | 0.46 |
| ▸ | CCND2 | P30279 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30945036 | 1.00 | TLR9 (0.49) | TLR9JAK2JAK3CCNA2CDK2 | |
| SCHEMBL30945008 | 0.87 | CCND3 (0.46) | JAK2JAK3CCNA2CDK2CDK9 | |
| SCHEMBL30944963 | 0.86 | JAK2 (0.51) | JAK2JAK3CCNA2CDK2CDK9 | |
| SCHEMBL29230412 | 0.86 | JAK2 (0.51) | JAK2JAK3CCNA2CDK2CDK9 | |
| SCHEMBL29230176 | 0.85 | JAK2 (0.58) | JAK2JAK3CCNA2CDK2CDK9 | |
| SCHEMBL29230215 | 0.85 | JAK2 (0.51) | JAK2JAK3CCNA2CDK2CDK9 | |
| SCHEMBL30944954 | 0.85 | JAK2 (0.51) | JAK2JAK3CCNA2CDK2CDK9 | |
| SCHEMBL29230241 | 0.81 | ALK (0.49) | TLR9JAK2JAK3CCNA2CDK2 | |
| SCHEMBL30944962 | 0.81 | ALK (0.49) | TLR9JAK2JAK3CCNA2CDK2 | |
| SCHEMBL2883449 | 0.78 | GPR119 (0.58) | KITFLT3MAPTKDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-118146151-A | 4-Trifluoromethyl substituted quinoline and quinazoline compound and application thereof | 贵州省中国科学院天然产物化学重点实验室(贵州医科大学天然产物化学重点实验室) | 2024-06-07 | — | — | CN | disclosed |