Choline

Choline

SCHEMBL516453

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

nearest known ligand 0.72

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 0.72
SLC5A7 Q9GZV3 1/20 0.72
LMNA P02545 5/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
CHRM5 P08912 4/20 0.50
CHRM1 P11229 4/20 0.50
CHRM3 P20309 4/20 0.50
CHRM2 P08172 3/20 0.50
CHRM4 P08173 3/20 0.50
HTR1A P08908 2/20 0.46
CHRNB2 P17787 2/20 0.46
CYP2C19 P33261 2/20 0.46
CHRNA7 P36544 2/20 0.46
CHRNA4 P43681 2/20 0.46
TSHR P16473 1/20 0.46
BLM P54132 2/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
ATM Q13315 1/20 0.41

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 1.00 CYP3A4 (0.72) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL16106188 0.97 CYP3A4 (0.68) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL28036788 0.97 CYP3A4 (0.68) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL15993921 0.97 CYP3A4 (0.68) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL28248281 0.97 CYP3A4 (0.68) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL23355962 0.97 LMNA (0.67) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL28920946 0.95 CYP3A4 (0.65) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL29198765 0.95 CYP3A4 (0.65) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL29218004 0.95 CYP3A4 (0.65) CYP3A4SLC5A7LMNAMEN1KMT2A
Choline SCHEMBL28273927 0.95 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 824 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118221983-A High-strength multifunctional gelatin-based packaging film and preparation method thereof 陕西科技大学 2024-06-21 CN claimed
CN-118166055-A Crayfish shell ACE (angiotensin converting enzyme) inhibitory peptide and preparation method and application thereof 湖北工业大学 2024-06-11 CN claimed
CN-115672278-B Mecalcidone adsorbent and application thereof 西南政法大学 2024-05-24 CN claimed
CN-118064527-A Method for synthesizing ethyl rutin by using eutectic solvent catalysis 皖南医学院 2024-05-24 CN claimed
CN-118064516-A Method for improving aglycone conversion efficiency by using eutectic solvent 皖南医学院 2024-05-24 CN claimed
CN-116144039-B Method for separating natural lignin 东北林业大学 2024-05-14 CN claimed
CN-117945383-A Method for preparing carbon micro-tube by DES and ionic liquid 广西大学 2024-04-30 CN claimed
CN-117843831-A Modified pectin for adsorbing heavy metals and preparation method thereof 河北科技大学 2024-04-09 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 claimed
CN-117737802-A Bright ruthenium plating electroplating solution, preparation method and application 东北大学 2024-03-22 CN claimed
CN-104607186-A Multiwalled carbon nanotube-loaded PdSn catalyst based on deep eutectic solvent, and preparation method and application of catalyst UNIV GUANGXI NORMAL 2015-05-13 CN claimed
CN-104588046-A Method for preparing BiOCl by using choline chloride/urea low-melting-point eutectic solvent as burning agent UNIV LIAONING SHIHUA 2015-05-06 CN claimed
CN-104370959-A Preparation method of mesoporous cadmium hydroxyethylidene diphosphonate and preparation method of phosphonate-biological enzyme composite catalytic material UNIV LUDONG 2015-02-25 CN claimed
CN-104357526-A Method for preparing cholestenone by using eutectic mixture as solubilization promoting agent through resting cell transformation UNIV TIANJIN SCIENCE & TECH 2015-02-18 CN claimed
US-8420732-B2 Polybenzimidazole solution in an ionic liquid PBI PERFORMANCE PRODUCTS, INC. (US) 2013-04-16 US claimed
WO-2012087442-A1 POLYBENZIMIDAZOLE SOLUTION IN AN IONIC LIQUID PBI PERFORMANCE PRODUCTS, INC. (US) 2012-06-28 WO claimed
US-20120142830-A1 POLYBENZIMIDAZOLE SOLUTION IN AN IONIC LIQUID DAWKINS BOBBY G (US) 2012-06-07 US claimed
US-20120083433-A1 Boron Containing Vegetable Oil Based Antiwear/Antifriction Additive and Their Preparation THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2012-04-05 US claimed
WO-2012044681-A2 BORON CONTAINING VEGETABLE OIL BASED ANTIWEAR/ANTIFRICTION ADDITIVE AND THEIR PREPARATION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2012-04-05 WO claimed
US-20110152413-A1 POLYBENZIMIDAZOLE SOLUTION IN AN IONIC LIQUID PBI PERFORMANCE PRODUCTS, INC. 2011-06-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120083433-A1 Boron Containing Vegetable Oil Based Antiwear/Antifriction Additive and Their Preparation FASN, ELOVL1, ELOVL3 CYP3A4 1712/4885SLC5A7 4298/4885LMNA 476/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.