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 |
| ▸ | CHRNA7 | P36544 | 10/20 | 0.42 |
| ▸ | CTSC | P53634 | 1/20 | 0.41 |
| ▸ | BRAF | P15056 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | IGF1R | P08069 | 1/20 | 0.41 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.40 |
| ▸ | CCNE2 | O96020 | 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 | |
|---|---|---|---|---|
| SCHEMBL30944972 | 1.00 | HDAC3 (0.43) | HDAC3APPACHEHDAC4HDAC1 | |
| SCHEMBL29230212 | 0.86 | MAPT (0.39) | HDAC3APPACHEHDAC4HDAC1 | |
| SCHEMBL30944983 | 0.86 | MAPT (0.39) | HDAC3APPACHEHDAC4HDAC1 | |
| SCHEMBL29230129 | 0.86 | IDH1 (0.47) | CHRNA7CTSCBRAFKCNH2SCN5A | |
| SCHEMBL30944958 | 0.86 | IDH1 (0.47) | CHRNA7CTSCBRAFKCNH2SCN5A | |
| SCHEMBL30944965 | 0.82 | HDAC3 (0.45) | HDAC3APPACHEHDAC4HDAC1 | |
| SCHEMBL29230393 | 0.82 | HDAC3 (0.45) | HDAC3APPACHEHDAC4HDAC1 | |
| SCHEMBL29230148 | 0.76 | GAA (0.54) | — | |
| SCHEMBL30944990 | 0.75 | NPY5R (0.52) | APP | |
| SCHEMBL29230125 | 0.75 | NPY5R (0.52) | APP |
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 |