Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 14/20 | 0.49 |
| ▸ | BTK | Q06187 | 2/20 | 0.47 |
| ▸ | MAPK3 | P27361 | 4/20 | 0.45 |
| ▸ | ERBB3 | P21860 | 2/20 | 0.42 |
| ▸ | DUS2 | Q9NX74 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.42 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29230158 | 1.00 | EGFR (0.49) | EGFRBTKMAPK3ERBB3DUS2 | |
| SCHEMBL29230203 | 0.89 | MAPT (0.46) | MAPT | |
| SCHEMBL30944970 | 0.89 | MAPT (0.46) | MAPT | |
| SCHEMBL29230117 | 0.83 | EGFR (0.46) | EGFRMAPT | |
| SCHEMBL30944967 | 0.83 | EGFR (0.46) | EGFRMAPT | |
| SCHEMBL30944997 | 0.83 | MEN1 (0.47) | MAPT | |
| SCHEMBL29230166 | 0.83 | MEN1 (0.47) | MAPT | |
| SCHEMBL30944968 | 0.81 | ABCB1 (0.47) | MAPT | |
| SCHEMBL29230132 | 0.81 | ABCB1 (0.47) | MAPT | |
| SCHEMBL30945007 | 0.79 | SLC2A1 (0.54) | MAPT |
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 |