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 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.32 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.32 |
| ▸ | BBOX1 | O75936 | 1/20 | 0.32 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL719408 | 0.96 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL9133464 | 0.84 | BBOX1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL16915525 | 0.79 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL35470 | 0.79 | ALDH1A1 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL35674 | 0.79 | ALDH1A1 (0.56) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL19860763 | 0.79 | ALDH1A1 (0.55) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| Hydrochloric Acid SCHEMBL7158460 | 0.78 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL19627079 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| SCHEMBL9246722 | 0.78 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 | |
| Ethylene SCHEMBL28248632 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP3A4CYP2C9CYP2C19MEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114243022-B | Three-dimensional network water system binder for lithium ion battery, preparation and application thereof | 北京壹金新能源科技有限公司 | 2022-04-29 | — | — | CN | disclosed |
| CN-114243022-A | Three-dimensional network water system binder for lithium ion battery, preparation and application thereof | 北京壹金新能源科技有限公司 | 2022-03-25 | — | — | CN | disclosed |