L-Homocysteine

L-Homocysteine

SCHEMBL7201153

N[C@@H](CCS)C(=O)O.N[C@@H](CS)C(=O)NCC(=O)O

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.58
GSTK1 Q9Y2Q3 1/20 0.58
SLC7A11 Q9UPY5 1/20 0.48
GLO1 Q04760 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
PTGS2 P35354 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GSR P00390 2/20 0.41
GRM8 O00222 1/20 0.41
GRM6 O15303 1/20 0.41
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRIK1 P39086 1/20 0.41
GRM5 P41594 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 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
Homocysteine SCHEMBL28053941 1.00 PTGS1 (0.58) PTGS1GSTK1SLC7A11GLO1ALDH1A1
Cysteine SCHEMBL6014796 0.90 PTGS1 (0.61) PTGS1GSTK1SLC7A11GLO1ALDH1A1
Cysteine SCHEMBL6014792 0.90 PTGS1 (0.61) PTGS1GSTK1SLC7A11GLO1ALDH1A1
SCHEMBL30658867 0.88 PTGS1 (0.50) PTGS1GSTK1SLC7A11GLO1ALDH1A1
SCHEMBL213626 0.88 PTGS1 (0.53) PTGS1GSTK1SLC7A11ALDH1A1MAPT
SCHEMBL213625 0.88 PTGS1 (0.53) PTGS1GSTK1SLC7A11ALDH1A1MAPT
SCHEMBL11766266 0.88 PTGS1 (0.53) PTGS1GSTK1SLC7A11ALDH1A1MAPT
SCHEMBL27574429 0.88 PTGS1 (0.53) PTGS1GSTK1SLC7A11ALDH1A1MAPT
SCHEMBL16057206 0.87 PTGS1 (0.56) PTGS1GSTK1SLC7A11GLO1ALDH1A1
Glutamine SCHEMBL10339777 0.86 PTGS1 (0.62) PTGS1GSTK1SLC7A11GLO1ALDH1A1

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
US-6589751-B2 Antibody specific for homocystamide adducts, such as those formed by dehydrating homocysteine to homocysteine thiolactone and reaction this with a carrier such as low density lipoprotein (LDL) to form homocystamide-LDL adduct MCW RESEARCH FOUNDATION 2003-07-08 US disclosed
US-20020015968-A1 IMMUNOLOGICAL DETECTION OF THE HOMOCYSTAMIDE ADDUCT AND A THIOLACTONE IMMUNOASSAY FOR ENDOGENEOUS HOMOCYSTEINE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-02-07 US disclosed