Lysine

Lysine

SCHEMBL8740433

C[C@@H](O)[C@H](N)C(=O)O.NCC(=O)O.NCC(=O)O.NCCCC[C@H](N)C(=O)O.NCCCC[C@H](N)C(=O)OC[C@H](N)C(=O)O

nearest known ligand 0.51

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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 18)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.51
ARG2 P78540 4/20 0.35
ARG1 P05089 3/20 0.35
NOS2 P35228 5/20 0.35
NOS1 P29475 4/20 0.35
NOS3 P29474 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
RNPEP Q9H4A4 1/20 0.33
NOD1 Q9Y239 1/20 0.33
TLR2 O60603 1/20 0.33
DDAH1 O94760 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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 SCHEMBL23292473 0.89 GSR (0.65) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL8199478 0.89 GSR (0.65) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL8322630 0.89 GSR (0.65) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL5084114 0.85 GSR (0.59) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL8391129 0.85 GSR (0.59) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL5084119 0.85 GSR (0.71) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL746846 0.85 GSR (0.71) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL21816467 0.85 GSR (0.71) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL1537434 0.85 GSR (0.71) GSRARG2ARG1NOS2NOS1
Lysine SCHEMBL746845 0.85 GSR (0.71) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0705104-A4 METHOD OF CANCER TREATMENT TERMAN DAVID S (US) 1997-06-18 EP disclosed
EP-0705104-A1 METHOD OF CANCER TREATMENT TERMAN, David S. (US) 1996-04-10 EP disclosed
WO-1994020124-A1 METHOD OF CANCER TREATMENT TERMAN DAVID S (US) 1994-09-15 WO disclosed