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 | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 14/20 | 0.46 |
| ▸ | NQO2 | P16083 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 8/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6433632 | 0.88 | MTNR1A (0.47) | MTNR1ANQO2MEN1KMT2A | |
| SCHEMBL6432839 | 0.88 | MTNR1A (0.50) | MTNR1ANQO2MEN1KMT2AMTNR1B | |
| Lithium SCHEMBL6433640 | 0.88 | MTNR1A (0.47) | MTNR1ANQO2MEN1KMT2A | |
| SCHEMBL6432988 | 0.79 | NQO2 (0.47) | MTNR1ANQO2MTNR1B | |
| SCHEMBL6410573 | 0.79 | MTNR1A (0.47) | MTNR1ANQO2 | |
| SCHEMBL6582651 | 0.71 | MTNR1A (0.52) | MTNR1ANQO2MTNR1BHTR2CHTR2B | |
| SCHEMBL6583218 | 0.68 | HTR2A (0.49) | MTNR1ANQO2MTNR1BHTR2CHTR2B | |
| SCHEMBL6417161 | 0.68 | HTR2A (0.35) | MTNR1ANQO2MTNR1BHTR2CHTR2B | |
| SCHEMBL7714927 | 0.67 | TRPV1 (0.43) | NQO2MEN1KMT2ATRPV1 | |
| SCHEMBL31670075 | 0.65 | CYP2A6 (0.52) | HTR2CHTR2B |
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-1090011-A4 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO INC (US) | 2005-04-06 | — | — | EP | disclosed |
| US-6410534-B1 | ANTICANCER AGENTS | MERCK & CO., INC. | 2002-06-25 | — | — | US | disclosed |
| EP-1090011-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | Merck & Co., Inc. (US) | 2001-04-11 | — | — | EP | disclosed |
| WO-2000001701-A1 | INHIBITORS OF PRENYL-PROTEIN TRANSFERASE | MERCK & CO., INC. (US) | 2000-01-13 | — | — | WO | disclosed |