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.
⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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 | |
|---|---|---|---|---|
| SCHEMBL6793222 | 0.90 | CYP1A2 (0.31) | — | |
| SCHEMBL6791815 | 0.85 | NAMPT (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL4257725 | 0.84 | HPGD (0.32) | — | |
| SCHEMBL4257728 | 0.82 | HPGD (0.30) | — | |
| Lithium Ion SCHEMBL6793578 | 0.77 | CARM1 (0.36) | — | |
| Lithium Ion SCHEMBL6792381 | 0.76 | CYP11B1 (0.39) | — | |
| Hydrochloric Acid SCHEMBL6792528 | 0.75 | — | — | |
| Trifluoroacetic Acid SCHEMBL1655186 | 0.74 | KDM4C (0.34) | — | |
| SCHEMBL15453745 | 0.74 | CACNA1G (0.33) | — | |
| Hydrochloric Acid SCHEMBL4263501 | 0.73 | CYP3A4 (0.34) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040127492-A1 | Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 | PHARMACIA CORPORATION | 2004-07-01 | — | — | US | claimed |
| US-20040127492-A1 | Cyclic pyrazoles for the inhibition of mitogen activated protein kinase-activated protein kinase-2 | PHARMACIA CORPORATION | 2004-07-01 | — | — | US | disclosed |