Lithium Ion

Lithium Ion

SCHEMBL31039809

O=C([O-])c1nnc(-c2ccccn2)o1.[Li+]

nearest known ligand 0.55

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
FAAH O00519 8/20 0.54
CES1 P23141 5/20 0.54
NCEH1 Q6PIU2 1/20 0.54
KDM4E B2RXH2 7/20 0.54
ALDH1A1 P00352 3/20 0.54
HPGD P15428 2/20 0.54
PKM P14618 1/20 0.54
HTT P42858 3/20 0.47
LMNA P02545 2/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
THRB P10828 1/20 0.46
P4HTM Q9NXG6 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PSMB8 P28062 1/20 0.43

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
Lithium Ion SCHEMBL22619803 1.00 FAAH (0.54) FAAHCES1NCEH1KDM4EALDH1A1
SCHEMBL14811283 0.84 FAAH (0.60) FAAHCES1NCEH1KDM4EALDH1A1
SCHEMBL9923047 0.83 KDM4E (0.62) FAAHCES1NCEH1KDM4EALDH1A1
SCHEMBL15048609 0.83 FAAH (0.55) FAAHCES1NCEH1KDM4EALDH1A1
SCHEMBL25375783 0.83 FAAH (0.55) FAAHCES1NCEH1KDM4EALDH1A1
SCHEMBL31384398 0.80 KDM4E (0.59) FAAHCES1NCEH1KDM4EALDH1A1
SCHEMBL2161953 0.80 KDM4E (0.59) FAAHCES1NCEH1KDM4EALDH1A1
SCHEMBL31384284 0.79 FAAH (0.55) FAAHCES1NCEH1KDM4EALDH1A1
SCHEMBL31384317 0.79 FAAH (0.55) FAAHCES1NCEH1KDM4EALDH1A1
SCHEMBL10553462 0.77 KDM4E (0.59) KDM4EALDH1A1HPGDPKMHTT

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119060036-A ATF6 inhibitors and uses thereof 阿尔托斯实验室公司 2024-12-03 CN disclosed
CN-112313224-B ATF6 inhibitors and uses thereof 阿尔托斯实验室公司 2024-08-13 CN disclosed