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 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR3A | P46098 | 18/20 | 0.64 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.39 |
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 SCHEMBL1003491 | 1.00 | HTR3A (0.64) | HTR3AKCNH2CYP2C19PIK3CA | |
| SCHEMBL3984980 | 0.90 | HTR3A (0.65) | HTR3AKCNH2CYP2C19 | |
| SCHEMBL3984982 | 0.90 | HTR3A (0.65) | HTR3AKCNH2CYP2C19 | |
| SCHEMBL5108964 | 0.90 | HTR3A (0.65) | HTR3AKCNH2CYP2C19 | |
| SCHEMBL1003492 | 0.89 | HTR3A (0.64) | HTR3AKCNH2CYP2C19 | |
| SCHEMBL1005008 | 0.87 | HTR3A (0.64) | HTR3AKCNH2 | |
| SCHEMBL1004430 | 0.87 | HTR3A (0.64) | HTR3AKCNH2 | |
| SCHEMBL1004431 | 0.87 | HTR3A (0.64) | HTR3AKCNH2 | |
| Lithium Ion SCHEMBL1004230 | 0.84 | HTR3A (0.61) | HTR3AKCNH2CYP2C19 | |
| Lithium Ion SCHEMBL1007740 | 0.80 | HTR3A (0.49) | HTR3AKCNH2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-7863271-B2 | 2-aminobenzoxazole carboxamides as 5HT3 modulators | ALBANY MOLECULAR RESEARCH, INC. (US) | 2011-01-04 | — | — | US | disclosed |