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 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 7/20 | 0.48 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 3/20 | 0.40 |
| ▸ | MMP13 | P45452 | 3/20 | 0.40 |
| ▸ | MMP9 | P14780 | 2/20 | 0.40 |
| ▸ | ADAM17 | P78536 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| Lithium SCHEMBL8712004 | 0.87 | FDPS (0.49) | FDPSBTN3A1PDE3ACYP1A2CYP3A4 | |
| SCHEMBL8711994 | 0.87 | FDPS (0.49) | FDPSBTN3A1PDE3ACYP1A2CYP3A4 | |
| SCHEMBL8712269 | 0.76 | FDPS (0.49) | FDPSBTN3A1PDE3ACYP1A2CYP3A4 | |
| SCHEMBL8159960 | 0.75 | FDPS (0.67) | FDPSBTN3A1PDE3ACYP1A2CYP3A4 | |
| SCHEMBL8711909 | 0.71 | FDPS (0.66) | FDPSBTN3A1PDE3ACYP1A2CYP3A4 | |
| Lithium Ion SCHEMBL8712331 | 0.71 | FDPS (0.45) | FDPSLMNAMAPK1HPGDHTT | |
| SCHEMBL7853031 | 0.70 | FDPS (0.54) | FDPSBTN3A1PDE3ACYP1A2CYP3A4 | |
| SCHEMBL578225 | 0.68 | FDPS (0.45) | FDPSBTN3A1PDE3ALMNAMAPK1 | |
| SCHEMBL23637410 | 0.68 | FDPS (0.56) | FDPSBTN3A1PDE3ACYP1A2CYP3A4 | |
| SCHEMBL9225849 | 0.68 | KCNA5 (0.35) | FDPSBTN3A1PDE3ACYP1A2CYP3A4 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0642518-B1 | PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMA (US) | 1998-08-05 | — | — | EP | disclosed |
| US-5731299-A | OSTEOPOROSIS; RHEUMATOID ARTHRITIS | THE PROCTER & GAMBLE COMPANY (US) | 1998-03-24 | — | — | US | disclosed |
| EP-0642518-A1 | PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMACEUTICALS (US) | 1995-03-15 | — | — | EP | disclosed |
| WO-1993024495-A1 | PHOSPHONOSULFONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM | PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) | 1993-12-09 | — | — | WO | disclosed |