Homocysteine

Homocysteine

SCHEMBL7783696

NC(CCS)C(=O)O.O=S(=O)(O)O

nearest known ligand 0.52

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Homocysteine. 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
PTGS1 P23219 1/20 0.52
SLC7A11 Q9UPY5 1/20 0.52
PMP22 Q01453 2/20 0.50
GSR P00390 2/20 0.48
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
CYP1A2 P05177 1/20 0.48
GRIK1 P39086 1/20 0.48
GRM5 P41594 1/20 0.48
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48
SLC1A3 P43003 1/20 0.48
SLC1A2 P43004 1/20 0.48
SLC1A1 P43005 1/20 0.48
GRIA4 P48058 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48

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 SCHEMBL7785059 1.00 PTGS1 (0.52) PTGS1SLC7A11PMP22GSRGRM8
L-Homocysteine SCHEMBL7785056 1.00 PTGS1 (0.52) PTGS1SLC7A11PMP22GSRGRM8
Homocysteine SCHEMBL27563537 0.91 PTGS1 (0.52) PTGS1SLC7A11PMP22GSRGRM8
Homocysteine SCHEMBL936365 0.91 PTGS1 (0.62) PTGS1SLC7A11PMP22GSRGRM8
Homocysteine SCHEMBL601148 0.91
Homocysteine SCHEMBL28927454 0.91 PTGS1 (0.62) PTGS1SLC7A11PMP22GSRGRM8
L-Homocysteine SCHEMBL35837 0.91
Homocysteine SCHEMBL35836 0.91
L-Homocysteine SCHEMBL936366 0.91 PTGS1 (0.62) PTGS1SLC7A11PMP22GSRGRM8
Homocysteine SCHEMBL27589396 0.90 PTGS1 (0.46) PTGS1SLC7A11PMP22GSRGRM8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6077971-A TREATING CRUDE HOMOCYSTINE CONTAINING A POLYSULFIDE WITH A BASE SELECTED FROM AN AQUEOUS SOLUTION OF AN ALKALI METAL HYDROXIDE, AMMONIA, OR AMINE. MITSUBISHI CHEMICAL CORPORATION (JP) 2000-06-20 US claimed
EP-0921118-A1 Method for purifying homocystine Mitsubishi Chemical Corporation (JP) 1999-06-09 EP claimed
CN-119181506-B Recognition model construction system, storage medium and kit for cardiovascular metabolism risk factor spectrum 上海交通大学医学院附属仁济医院 2025-03-18 CN disclosed
CN-119584951-A Composition comprising a UV filter stabilizer 西姆莱斯股份公司 2025-03-07 CN disclosed
CN-119181506-A Recognition model construction system, storage medium and kit for cardiovascular metabolism risk factor spectrum 上海交通大学医学院附属仁济医院 2024-12-24 CN disclosed
EP-0844239-B1 Method for producing homocystine MITSUBISHI CHEM CORP (JP) 2001-10-04 EP disclosed
US-6077971-A TREATING CRUDE HOMOCYSTINE CONTAINING A POLYSULFIDE WITH A BASE SELECTED FROM AN AQUEOUS SOLUTION OF AN ALKALI METAL HYDROXIDE, AMMONIA, OR AMINE. MITSUBISHI CHEMICAL CORPORATION (JP) 2000-06-20 US disclosed
EP-0921118-A1 Method for purifying homocystine Mitsubishi Chemical Corporation (JP) 1999-06-09 EP disclosed
US-5847205-A Method for producing homocystine MITSUBISHI CHEMICAL CORPORATION (JP) 1998-12-08 US disclosed
EP-0844239-A1 Method for producing homocystine MITSUBISHI CHEMICAL CORPORATION (JP) 1998-05-27 EP disclosed