Lysine

Lysine

SCHEMBL170703

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

nearest known ligand 0.56

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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 17)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.56
NOS2 P35228 5/20 0.40
NOS1 P29475 4/20 0.40
TSHR P16473 4/20 0.40
NOS3 P29474 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
BLM P54132 1/20 0.39
MEN1 O00255 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
ARG2 P78540 4/20 0.37
ARG1 P05089 3/20 0.37
THRB P10828 1/20 0.37
RNPEP Q9H4A4 1/20 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
Lysine SCHEMBL28160064 1.00 GSR (0.56) GSRNOS2NOS1TSHRNOS3
SCHEMBL10187385 0.84 TSHR (0.51) GSRNOS2NOS1TSHRNOS3
SCHEMBL28160062 0.82 THRB (0.45) GSRTSHRTHRB
SCHEMBL28535443 0.82 THRB (0.45) GSRTSHRTHRB
Lysine SCHEMBL16969535 0.80 GSR (0.74) GSRNOS2NOS1TSHRNOS3
SCHEMBL10187387 0.80 THRB (0.47) GSRNOS2NOS1TSHRNOS3
Lysine SCHEMBL28536918 0.80 GSR (0.74) GSRNOS2NOS1TSHRNOS3
Lysine SCHEMBL16969536 0.80 GSR (0.74) GSRNOS2NOS1TSHRNOS3
Lysine SCHEMBL28689762 0.79 GSR (0.67) GSRNOS2NOS1TSHRNOS3
Lysine SCHEMBL28535445 0.79 GSR (0.57) GSRNOS2NOS1TSHRNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120058327-A1 Robust Hybrid Thin Films that Incorporate Lamellar Phospholipid Bilayer Assemblies and Transmembrane Proteins STC.UNM (US) 2012-03-08 US claimed