Choline

Choline

SCHEMBL10630107

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

nearest known ligand 0.63

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
LMNA P02545 3/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
CYP3A4 P08684 1/20 0.60
SLC5A7 Q9GZV3 1/20 0.60
GALR3 O60755 1/20 0.40
TSHR P16473 2/20 0.38
ACHE P22303 1/20 0.37
ALDH1A1 P00352 1/20 0.36
APEX1 P27695 1/20 0.36
CHRM5 P08912 3/20 0.36
CHRM1 P11229 3/20 0.36
CHRM3 P20309 3/20 0.36
CHRM2 P08172 2/20 0.36
CHRM4 P08173 2/20 0.36
HTR1A P08908 2/20 0.36
CHRNB2 P17787 2/20 0.36
CHRNA7 P36544 2/20 0.36
CHRNA4 P43681 2/20 0.36
CYP2C19 P33261 2/20 0.36

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 SCHEMBL28209917 0.97 CYP3A4 (0.65) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL10630113 0.97 LMNA (0.63) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL119826 0.97 LMNA (0.63) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL27902546 0.95 LMNA (0.60) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL8815336 0.95 LMNA (0.60) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL9022606 0.95 LMNA (0.60) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL119824 0.89 LMNA (0.67) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL3788610 0.87 LMNA (0.57) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL2222247 0.86 LMNA (0.63) LMNAMEN1KMT2ACYP3A4SLC5A7
Choline SCHEMBL1686208 0.86 LMNA (0.63) LMNAMEN1KMT2ACYP3A4SLC5A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116947279-A Pig farm manure cleaning process suitable for full-quantification collection, storage and transportation 赣州锐源生物科技有限公司 2023-10-27 CN disclosed
CN-1494528-A Benzophenones as reverse transcriptase inhibitors ʷ��˿�������ȳ�ķ���޹�˾ 2004-05-05 CN disclosed
US-4727197-A Process for preparing natural benzaldehyde and acetaldehyde natural benzaldehyde and acetaldehyde compositions, products produced thereby and organoleptic utilities therefor INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-02-23 US disclosed
US-4727058-A Process for preparing natural benzaldehyde and acetaldehyde, natural benzaldehyde and acetaldehyde compositions, products produced thereby and organoleptic utilities therefor INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1988-02-23 US disclosed
US-4683342-A Process for preparing natural benzaldehyde and acetaldehyde, natural benzaldehyde and acetaldehyde compositions, products produced thereby and organoleptic utilities therefor INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1987-07-28 US disclosed