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 | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | MMP13 | P45452 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.38 |
| ▸ | ACP1 | P24666 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21522571 | 0.95 | CES2 (0.46) | CES2MAPTCA1CA2CA12 | |
| SCHEMBL28713750 | 0.95 | CES2 (0.46) | CES2MAPTCA1CA2CA12 | |
| SCHEMBL21522648 | 0.95 | CES2 (0.46) | CES2MAPTCA1CA2CA12 | |
| SCHEMBL21522541 | 0.95 | CES2 (0.46) | CES2MAPTCA1CA2CA12 | |
| Tetramethylammonium Ion SCHEMBL5493899 | 0.90 | CES2 (0.42) | CES2MAPTCA1CA2CA12 | |
| SCHEMBL13277682 | 0.82 | NOTUM (0.44) | CES2MAPTCA1CA2CA12 | |
| SCHEMBL5410156 | 0.82 | MAPT (0.46) | CES2MAPTCA1CA2CA12 | |
| SCHEMBL5404772 | 0.80 | MAPT (0.44) | MAPTCA1CA2CA12CA9 | |
| SCHEMBL5398553 | 0.79 | FFAR1 (0.47) | MAPTCA1CA2CA9MMP1 | |
| SCHEMBL3507443 | 0.78 | CES2 (0.52) | CES2MAPTCA1CA2CA12 |
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 |
|---|---|---|---|---|---|---|---|
| JP-4244054-A | — | — | None | — | — | JP | disclosed |
| JP-H04244054-A | FLUORINE-CONTAINING BENZENESULFONIC ACID SALT | NEOS CO LTD | 1992-09-01 | — | — | JP | disclosed |