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 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLKB1 | P03952 | 8/20 | 0.58 |
| ▸ | BTK | Q06187 | 10/20 | 0.43 |
| ▸ | RBP4 | P02753 | 1/20 | 0.36 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.35 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL21712925 | 0.90 | KLKB1 (0.60) | KLKB1BTKRBP4HCRTR1HCRTR2 | |
| SCHEMBL21746961 | 0.89 | KLKB1 (0.61) | KLKB1BTKRBP4 | |
| Lithium Ion SCHEMBL30140715 | 0.87 | KLKB1 (0.46) | KLKB1BTK | |
| SCHEMBL20541006 | 0.86 | KLKB1 (0.57) | KLKB1BTK | |
| SCHEMBL30140633 | 0.86 | KLKB1 (0.57) | KLKB1BTK | |
| Lithium Ion SCHEMBL30140720 | 0.82 | KLKB1 (0.60) | KLKB1BTK | |
| SCHEMBL21713067 | 0.81 | KLKB1 (0.53) | KLKB1BTKRBP4HCRTR1HCRTR2 | |
| SCHEMBL22134223 | 0.77 | KLKB1 (0.48) | KLKB1BTKRBP4HCRTR1HCRTR2 | |
| SCHEMBL23469646 | 0.77 | KLKB1 (0.47) | KLKB1BTKRBP4HCRTR1HCRTR2 | |
| SCHEMBL20540796 | 0.77 | KLKB1 (0.47) | KLKB1BTKRBP4HCRTR1HCRTR2 |
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-110546146-B | Heteroaryl carboxamide derivatives as plasma kallikrein inhibitors | 勃林格殷格翰国际有限公司 | 2023-02-21 | — | — | CN | disclosed |