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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 16/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL3623447 | 0.83 | KIF11 (0.48) | KIF11KCNH2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL1856600 | 0.81 | KIF11 (0.47) | KIF11KCNH2CYP2C19CYP3A4CYP2D6 | |
| Tetramethylammonium Ion SCHEMBL2428731 | 0.75 | KIF11 (0.44) | KIF11KCNH2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL28491862 | 0.74 | KIF11 (0.59) | KIF11KCNH2CYP2C19CYP3A4CYP2D6 | |
| Tetrylammonium SCHEMBL3297055 | 0.72 | KIF11 (0.41) | KIF11KCNH2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL705749 | 0.71 | KIF11 (0.55) | KIF11KCNH2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL2325018 | 0.71 | KIF11 (0.55) | KIF11KCNH2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL9161063 | 0.71 | KIF11 (0.55) | KIF11KCNH2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL8652182 | 0.70 | KIF11 (0.50) | KIF11KCNH2CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL532733 | 0.70 | KIF11 (0.50) | KIF11KCNH2CYP2C19CYP3A4CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0922708-B1 | Production method of borate compounds | SHOWA DENKO KK (JP) | 2003-05-14 | — | — | EP | disclosed |
| US-6002044-A | REACTING A LITHIUM OR MAGNEISIUM, A HALIDE AND A BORONATE PRECURSOR OBTAINED IN A FIRSST SIMILAR STEP USING A BORIDE; ADDING AN ONIIUM HALIDE TO THE METAL BORATE; PURITY | SHOWA DENKO K.K. (JP) | 1999-12-14 | — | — | US | disclosed |
| EP-0922708-A2 | Production method of borate compounds | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1999-06-16 | — | — | EP | disclosed |