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 | |
|---|---|---|---|---|
| ▸ | KCNA4 | P22459 | 1/20 | 0.32 |
| ▸ | KCNA1 | Q09470 | 1/20 | 0.32 |
| ▸ | KCNAB1 | Q14722 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL16857488 | 0.79 | CA1 (0.37) | — | |
| SCHEMBL31512473 | 0.79 | CA1 (0.37) | — | |
| SCHEMBL1829037 | 0.77 | FFAR3 (0.35) | KCNA4KCNA1KCNAB1 | |
| SCHEMBL877771 | 0.77 | FFAR3 (0.35) | KCNA4KCNA1KCNAB1 | |
| SCHEMBL2035911 | 0.76 | FFAR3 (0.33) | — | |
| SCHEMBL10400494 | 0.72 | NPSR1 (0.31) | — | |
| SCHEMBL16466884 | 0.71 | — | — | |
| Lithium Ion SCHEMBL31673088 | 0.70 | — | — | |
| SCHEMBL17801156 | 0.68 | USP2 (0.30) | — | |
| SCHEMBL2028847 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7968572-B2 | Nitrogen-containing heterocyclic compound and pharmaceutical application thereof | ONO PHARMACEUTICALS CO., LTD. (JP) | 2011-06-28 | — | — | US | disclosed |