Choline

Choline

SCHEMBL28036788

C[N+](C)(C)CCO.NC(N)=O.OCCO.[Cl-]

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3GNRHRMPLPDE3APDE3BPDE4APDE4BPDE4CPDE4DPPARASLC5A2

The experimentally established mechanism targets of Choline. 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
CYP3A4 P08684 1/20 0.68
SLC5A7 Q9GZV3 1/20 0.68
LMNA P02545 5/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CHRM5 P08912 4/20 0.48
CHRM1 P11229 4/20 0.48
CHRM3 P20309 4/20 0.48
CHRM2 P08172 3/20 0.48
CHRM4 P08173 3/20 0.48
HTR1A P08908 2/20 0.44
CHRNB2 P17787 2/20 0.44
CYP2C19 P33261 2/20 0.44
CHRNA7 P36544 2/20 0.44
CHRNA4 P43681 2/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
ATM Q13315 1/20 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.

Compoundsimilaritytop predictedshared targets
Choline SCHEMBL28308438 0.97 CYP3A4 (0.72) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL516453 0.97 CYP3A4 (0.72) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL16106188 0.95 CYP3A4 (0.68) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL28248281 0.95 CYP3A4 (0.68) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL15993921 0.95 CYP3A4 (0.68) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL23355962 0.95 LMNA (0.67) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL28920946 0.92 CYP3A4 (0.65) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL29218004 0.92 CYP3A4 (0.65) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL29198765 0.92 CYP3A4 (0.65) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL28273927 0.92 CYP3A4 (0.65) CYP3A4SLC5A7LMNAMEN1KMT2A

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117737449-A Method for preparing metallic zinc by selectively leaching zinc calcine of zinc sulfide concentrate by using eutectic solvent 东北大学 2024-03-22 CN claimed
CN-113943303-A Clean synthesis of copper phthalocyanine in ethylene glycol-urea choline chloride mixed solvent 河北科技大学 2022-01-18 CN claimed
CN-117737449-A Method for preparing metallic zinc by selectively leaching zinc calcine of zinc sulfide concentrate by using eutectic solvent 东北大学 2024-03-22 CN disclosed
CN-113943303-A Clean synthesis of copper phthalocyanine in ethylene glycol-urea choline chloride mixed solvent 河北科技大学 2022-01-18 CN disclosed
CN-113943303-A Clean synthesis of copper phthalocyanine in ethylene glycol-urea choline chloride mixed solvent 河北科技大学 2022-01-18 CN disclosed
CN-111826691-B Method for preparing zinc-tantalum alloy by using solvated ionic liquid 东北大学 2021-09-21 CN disclosed
CN-111826691-A Method for preparing zinc-tantalum alloy by using solvated ionic liquid 东北大学 2020-10-27 CN disclosed
CN-109267123-A Choline chloride class ion liquid type electrolyte and preparation method for nickel-cobalt alloy plating 沈阳理工大学 2019-01-25 CN disclosed
CN-105037062-A Alcohol-based ternary deep-eutectic solvent and preparation method thereof UNIV TIANJIN TECHNOLOGY 2015-11-11 CN disclosed