Choline

Choline

SCHEMBL28214932

C[N+](C)(C)CCO.OCC(O)CO.OCCO.[Cl-]

nearest known ligand 0.65

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 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.65
SLC5A7 Q9GZV3 1/20 0.65
LMNA P02545 3/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.38
THRB P10828 1/20 0.38
PSMD14 O00487 2/20 0.37
PLA2G1B P04054 2/20 0.37
MMP2 P08253 2/20 0.37
ATG4B Q9Y4P1 2/20 0.37
RAD52 P43351 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
HSP90AA1 P07900 1/20 0.33
APEX1 P27695 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
SLC22A16 Q86VW1 1/20 0.33
MAPT P10636 1/20 0.33

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 SCHEMBL3304484 0.97 CYP3A4 (0.68) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL28247967 0.95 CYP3A4 (0.65) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL22418373 0.95 CYP3A4 (0.65) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL7169119 0.95 LMNA (0.63) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL29002744 0.92 LMNA (0.60) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL28224033 0.92 LMNA (0.60) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL3309233 0.92 LMNA (0.60) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL4207428 0.92 LMNA (0.68) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL28465207 0.91 CYP3A4 (0.59) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL29092122 0.87 CYP3A4 (0.54) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114891844-A Method for efficiently pretreating corncobs by using ultrasonic-assisted ternary eutectic solvent 江苏大学 2022-08-12 CN claimed
CN-114891844-B Method for efficiently preprocessing corncob by using ultrasonic-assisted ternary eutectic solvent 江苏大学 2024-05-10 CN disclosed
CN-114891844-B Method for efficiently preprocessing corncob by using ultrasonic-assisted ternary eutectic solvent 江苏大学 2024-05-10 CN disclosed
CN-114891844-A Method for efficiently pretreating corncobs by using ultrasonic-assisted ternary eutectic solvent 江苏大学 2022-08-12 CN disclosed
CN-114891844-A Method for efficiently pretreating corncobs by using ultrasonic-assisted ternary eutectic solvent 江苏大学 2022-08-12 CN disclosed
CN-108060444-B Preparation method of electrodeposited hydroxyapatite in choline chloride ionic liquid 天津农学院 2020-04-10 CN disclosed
CN-108060444-A Preparation method of electrodeposited hydroxyapatite in choline chloride ionic liquid 天津农学院 2018-05-22 CN disclosed