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 | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | MGLL | Q99685 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | PTPRZ1 | P23471 | 1/20 | 0.32 |
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 SCHEMBL5017125 | 0.81 | GPR3 (0.37) | GPR3PTPN1CA1CA2CA5A | |
| SCHEMBL2994439 | 0.79 | CA1 (0.38) | GPR3PTPN1CA1CA2CA5A | |
| SCHEMBL5017164 | 0.78 | PTPN1 (0.40) | PTPN1CA1CA2CA5ACA9 | |
| SCHEMBL13266199 | 0.72 | PTGS1 (0.44) | PTPN1CA1CA2CA5ACA9 | |
| Lithium SCHEMBL2991326 | 0.71 | PTGS1 (0.43) | PTPN1CA1CA2CA5ACA9 | |
| SCHEMBL2988178 | 0.68 | CA2 (0.50) | PTPN1CA1CA2CA9CA12 | |
| SCHEMBL2992202 | 0.68 | CA1 (0.35) | GPR3PTPN1CA1CA2CA5A | |
| SCHEMBL777056 | 0.68 | ALDH1A1 (0.56) | PTPN1MAPTHPGDSMN1; SMN2MGLL | |
| Tetraphenylphosphonium SCHEMBL21957774 | 0.67 | GPR3 (0.50) | GPR3PTPN1CA1CA2CA5A | |
| SCHEMBL5013864 | 0.67 | PTPN1 (0.38) | PTPN1CA1CA2CA5ACA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008009815-A2 | METHOD FOR PREPARING AROMATIC SULFONATES | INSTITUT NATIONAL POLYTECHNIQUE DE GRENOBLE (FR) | 2008-01-24 | — | — | WO | disclosed |