Lithium Ion

Lithium Ion

SCHEMBL27874331

Cc1ccc(OP(=O)([O-])[O-])c(C(C)(C)C)c1.[Li+].[Li+]

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

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 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GPR84 Q9NQS5 2/20 0.35
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CA2 P00918 2/20 0.33
▸ ACHE P22303 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TYR P14679 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ MRGPRX4 Q96LA9 1/20 0.32
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ WDR5 P61964 1/20 0.32

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL27890628 0.98 MEN1 (0.36) MEN1KMT2AGPR84USP2LMNA
SCHEMBL27485917 0.97 MEN1 (0.36) MEN1KMT2AGPR84USP2LMNA
SCHEMBL30400548 0.90 GPR84 (0.38) MEN1KMT2AGPR84USP2LMNA
SCHEMBL1487458 0.84 CYP3A4 (0.44) MEN1KMT2AUSP2LMNACA2
Lithium Ion SCHEMBL21541943 0.83 CA1 (0.39) MEN1KMT2ACA2ALDH1A1SMN1; SMN2
SCHEMBL6739022 0.81 CA1 (0.40) MEN1KMT2ACA2ALDH1A1SMN1; SMN2
SCHEMBL2869215 0.81 INPPL1 (0.46) MEN1KMT2AUSP2LMNACA2
SCHEMBL5085354 0.81 MEN1 (0.39) MEN1KMT2AGPR84USP2LMNA
SCHEMBL28468987 0.80 CA1 (0.39) MEN1KMT2ACA2ALDH1A1SMN1; SMN2
SCHEMBL28946510 0.80 INPPL1 (0.44) MEN1KMT2AUSP2LMNACA2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102712186-A Multilayer blow-molded container, and process for production thereof PRIME POLYMER CO LTD 2012-10-03 — — CN disclosed
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