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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | DRD3 | P35462 | 1/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 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 | |
|---|---|---|---|---|
| SCHEMBL3385570 | 0.94 | TSHR (0.44) | CYP3A4TSHRNFKB1NPSR1CA12 | |
| SCHEMBL3381883 | 0.77 | CA2 (0.47) | CYP3A4TSHRNFKB1NPSR1CA2 | |
| Lithium Ion SCHEMBL4422535 | 0.77 | TP53 (0.30) | — | |
| SCHEMBL3386052 | 0.75 | CA2 (0.50) | TSHRNFKB1CA2CA1 | |
| Potassium Ion SCHEMBL10537891 | 0.75 | CA2 (0.45) | TSHRCA2CA1 | |
| SCHEMBL3385769 | 0.75 | CA2 (0.50) | TSHRNFKB1CA2CA1 | |
| Potassium Ion SCHEMBL9280601 | 0.75 | CA2 (0.45) | TSHRCA2CA1 | |
| Lithium Ion SCHEMBL6426738 | 0.74 | CYP3A4 (0.32) | CYP3A4TSHRNFKB1NPSR1CA12 | |
| Lithium Ion SCHEMBL31087658 | 0.74 | CYP3A4 (0.37) | CYP3A4TSHRNFKB1NPSR1CA12 | |
| SCHEMBL8635514 | 0.71 | CA12 (0.36) | CYP3A4TSHRNFKB1NPSR1CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-9583789-B2 | Non-aqueous electrolyte secondary battery | NEC CORPORATION (JP) | 2017-02-28 | — | — | US | disclosed |
| US-20150155597-A1 | NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY | NEC CORPORATION (JP) | 2015-06-04 | — | — | US | disclosed |