Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | APP | P05067 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 7/20 | 0.43 |
| ▸ | ERBB2 | P04626 | 7/20 | 0.43 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.40 |
| ▸ | ROS1 | P08922 | 1/20 | 0.40 |
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | ERBB4 | Q15303 | 1/20 | 0.40 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.40 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.40 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29230396 | 1.00 | HDAC3 (0.43) | HDAC3APPACHEHDAC4HDAC1 | |
| SCHEMBL29230393 | 0.88 | HDAC3 (0.45) | HDAC3APPACHEHDAC4HDAC1 | |
| SCHEMBL30944965 | 0.88 | HDAC3 (0.45) | HDAC3APPACHEHDAC4HDAC1 | |
| SCHEMBL29230212 | 0.83 | MAPT (0.39) | HDAC3APPACHEHDAC4HDAC1 | |
| SCHEMBL30944983 | 0.83 | MAPT (0.39) | HDAC3APPACHEHDAC4HDAC1 | |
| SCHEMBL29230200 | 0.77 | MAPT (0.53) | EGFRERBB2CNR2NPC1RAB9A | |
| SCHEMBL30945036 | 0.75 | TLR9 (0.49) | ACHEFLT3SYKSLC2A1 | |
| SCHEMBL29230232 | 0.75 | TLR9 (0.49) | ACHEFLT3SYKSLC2A1 | |
| SCHEMBL29230175 | 0.73 | SLC2A1 (0.53) | EGFRSLC2A1 | |
| SCHEMBL14800898 | 0.70 | LCK (0.47) | EGFRERBB2CHEK2ROS1FLT3 |
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 |