Lysine

Lysine

SCHEMBL7040784

CC(N)(N)C(=O)O.NCCCCC(N)C(=O)O

nearest known ligand 0.74

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Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

The experimentally established mechanism targets of Lysine. 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
GSR P00390 1/20 0.74
ARG2 P78540 4/20 0.47
ARG1 P05089 3/20 0.47
NOS2 P35228 5/20 0.46
NOS1 P29475 4/20 0.46
NOS3 P29474 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
CPB2 Q96IY4 3/20 0.46
RNPEP Q9H4A4 1/20 0.46
BLM P54132 1/20 0.45
GRIK1 P39086 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
GRIK2 Q13002 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43

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
Lysine SCHEMBL7037399 1.00 GSR (0.74) GSRARG2ARG1NOS2NOS1
Ornithine SCHEMBL3000505 0.94 GSR (0.64) GSRARG2ARG1NOS2NOS1
Ornithine Aketoglutarate SCHEMBL3000503 0.94 GSR (0.64) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL7048440 0.87 GSR (0.71) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL7048439 0.87 GSR (0.71) GSRARG2ARG1NOS2NOS1
Ornithine SCHEMBL6757036 0.87 GSR (0.64) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL31541159 0.86 GSR (0.91) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL28080783 0.86 GSR (0.91) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL18396696 0.86 GSR (0.91) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL18396695 0.86 GSR (0.91) GSRARG2ARG1NOS2NOS1

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
EP-1116727-B1 PEPTIDE DERIVATIVE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-03-19 EP disclosed
EP-1116727-A1 PEPTIDE DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2001-07-18 EP disclosed