Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 2/20 | 0.69 |
| ▸ | F3 | P13726 | 3/20 | 0.68 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.67 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.67 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.67 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.67 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.67 |
| ▸ | THRB | P10828 | 1/20 | 0.66 |
| ▸ | ATM | Q13315 | 1/20 | 0.66 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.61 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.61 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.61 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.61 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.61 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.61 |
| ▸ | BACE1 | P56817 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 3/20 | 0.58 |
| ▸ | NPC1 | O15118 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | BCHE | P06276 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL9073433 | 0.89 | F3 (0.78) | GSK3BF3HDAC3HDAC1HDAC2 | |
| SCHEMBL9073430 | 0.89 | F3 (0.78) | GSK3BF3HDAC3HDAC1HDAC2 | |
| SCHEMBL30468167 | 0.86 | F3 (0.68) | GSK3BF3HDAC3HDAC1HDAC2 | |
| SCHEMBL27692106 | 0.85 | F3 (0.72) | GSK3BF3HDAC3HDAC1HDAC2 | |
| SCHEMBL1678197 | 0.84 | THRB (0.73) | GSK3BF3HDAC3HDAC1HDAC2 | |
| SCHEMBL1678195 | 0.84 | THRB (0.73) | GSK3BF3HDAC3HDAC1HDAC2 | |
| SCHEMBL29229913 | 0.83 | GSK3B (0.61) | GSK3BF3HDAC3HDAC1HDAC2 | |
| SCHEMBL7077101 | 0.82 | CYP1A2 (0.58) | HDAC2HDAC6MAPTNPC1LMNA | |
| SCHEMBL7077102 | 0.82 | CYP1A2 (0.58) | HDAC2HDAC6MAPTNPC1LMNA | |
| SCHEMBL17157604 | 0.82 | MAOB (0.54) | GSK3BHDAC3HDAC1HDAC2HDAC8 |
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-117586218-A | Chiral octacyclic ether compound and synthetic method and application thereof | 浙江工业大学 | 2024-02-23 | — | — | CN | disclosed |