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 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 8/20 | 0.44 |
| ▸ | CYP11B1 | P15538 | 7/20 | 0.44 |
| ▸ | CACNA1H | O95180 | 10/20 | 0.42 |
| ▸ | FNTA | P49354 | 2/20 | 0.41 |
| ▸ | FNTB | P49356 | 2/20 | 0.41 |
| ▸ | PGGT1B | P53609 | 2/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 1/20 | 0.40 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.40 |
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 SCHEMBL7709340 | 0.89 | CYP11B2 (0.50) | CYP11B2CYP11B1CACNA1H | |
| SCHEMBL6452310 | 0.89 | CYP11B1 (0.46) | CYP11B2CYP11B1CACNA1HFNTAFNTB | |
| SCHEMBL7704754 | 0.88 | CYP11B1 (0.45) | CYP11B2CYP11B1CACNA1HFNTAFNTB | |
| Bromide SCHEMBL7629321 | 0.88 | CYP11B1 (0.45) | CYP11B2CYP11B1CACNA1HFNTAFNTB | |
| SCHEMBL7704743 | 0.85 | CYP11B1 (0.55) | CYP11B2CYP11B1CACNA1HFNTAFNTB | |
| SCHEMBL6433915 | 0.83 | CYP11B1 (0.64) | CYP11B2CYP11B1CACNA1H | |
| SCHEMBL7971164 | 0.82 | CYP11B1 (0.52) | CYP11B2CYP11B1CACNA1H | |
| SCHEMBL7166994 | 0.82 | CYP11B2 (0.46) | CYP11B2CYP11B1CACNA1HFNTAFNTB | |
| SCHEMBL7709344 | 0.81 | CYP11B1 (0.51) | CYP11B2CYP11B1CACNA1H | |
| Lithium Ion SCHEMBL8437833 | 0.81 | CYP11B1 (0.67) | CYP11B2CYP11B1FNTAFNTBPGGT1B |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1214326-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| US-6358985-B1 | ANTICANCER AGENT | MERCK & CO., INC. | 2002-03-19 | — | — | US | disclosed |
| EP-1091736-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2001-10-24 | — | — | EP | disclosed |
| EP-1091736-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-18 | — | — | EP | disclosed |
| WO-2001018006-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2001-03-15 | — | — | WO | disclosed |
| WO-2000001382-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |