Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Lithium Ion. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKB | Q96GD4 | 18/20 | 0.74 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.72 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL8350666 | 0.91 | AURKB (0.78) | AURKBHDAC1LRRK2 | |
| SCHEMBL6919054 | 0.91 | AURKB (0.77) | AURKBHDAC1LRRK2 | |
| SCHEMBL1065095 | 0.90 | AURKB (0.79) | AURKBHDAC1LRRK2 | |
| SCHEMBL213280 | 0.84 | HDAC1 (0.85) | AURKBHDAC1 | |
| SCHEMBL1061039 | 0.84 | HDAC1 (1.00) | AURKBHDAC1 | |
| SCHEMBL6131202 | 0.84 | HDAC1 (0.84) | AURKBHDAC1 | |
| SCHEMBL6131078 | 0.83 | AURKB (0.79) | AURKBHDAC1LRRK2 | |
| SCHEMBL13713706 | 0.82 | HDAC1 (0.70) | AURKBHDAC1LRRK2 | |
| SCHEMBL213867 | 0.75 | HDAC1 (0.86) | AURKBHDAC1 | |
| SCHEMBL209760 | 0.75 | HDAC1 (0.85) | AURKBHDAC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004005513-A2 | METHODS FOR SPECIFICALLY INHIBITING HISTONE DEACETYLASE-7 AND 8 | METHYLGENE, INC. (CA) | 2004-01-15 | — | — | WO | disclosed |