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 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | KAT2B | Q92831 | 2/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7775198 | 0.82 | TSHR (0.50) | TSHRCYP3A4MAPTKAT2BEGFR | |
| Lithium Ion SCHEMBL8329179 | 0.75 | TSHR (0.46) | TSHRCYP3A4MAPT | |
| SCHEMBL7775426 | 0.73 | TSHR (0.50) | TSHRCYP3A4MAPTKAT2BGPR35 | |
| SCHEMBL1343668 | 0.70 | TSHR (0.60) | TSHRCYP3A4MAPTKAT2BGPR35 | |
| SCHEMBL7775199 | 0.70 | TSHR (0.46) | TSHRCYP3A4MAPT | |
| Lithium Ion SCHEMBL8330357 | 0.69 | TSHR (0.53) | TSHRCYP3A4MAPT | |
| SCHEMBL10956869 | 0.69 | TSHR (0.49) | TSHRCYP3A4MAPTKAT2BACHE | |
| SCHEMBL294724 | 0.68 | TSHR (1.00) | TSHRCYP3A4MAPTKAT2BGPR35 | |
| SCHEMBL404758 | 0.67 | VCAM1 (0.64) | TSHRCYP3A4MAPTKAT2BGPR35 | |
| SCHEMBL557939 | 0.67 | TSHR (0.72) | TSHRCYP3A4MAPTKAT2BGPR35 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0948507-A1 | HYDROGENATION OF CYANOPHOSPHONATE DERIVATIVES | MONSANTO COMPANY (US) | 1999-10-13 | — | — | EP | disclosed |
| US-5905163-A | REDUCTION OF CYANO GROUP BY CATALYTIC HYDROGENATION | MONSANTO COMPANY (US) | 1999-05-18 | — | — | US | disclosed |
| WO-1998029423-A1 | HYDROGENATION OF CYANOPHOSPHONATE DERIVATIVES | MONSANTO COMPANY (US) | 1998-07-09 | — | — | WO | disclosed |