Lysine

Lysine

SCHEMBL7099414

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

nearest known ligand 0.59

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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 0.59
NOS1 P29475 7/20 0.42
NOS2 P35228 6/20 0.42
NOS3 P29474 4/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
RNPEP Q9H4A4 1/20 0.41
DDAH1 O94760 3/20 0.41
BLM P54132 1/20 0.41
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
ARG2 P78540 4/20 0.39
ARG1 P05089 3/20 0.39
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38

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 SCHEMBL25176285 0.95 GSR (0.65) GSRNOS1NOS2NOS3CYP1A2
Lysine SCHEMBL29170023 0.86 GSR (0.74) GSRNOS1NOS2NOS3CYP1A2
Lysine SCHEMBL28599698 0.86 GSR (0.74) GSRNOS1NOS2NOS3CYP1A2
Lysine SCHEMBL29244084 0.86 GSR (0.74) GSRNOS1NOS2NOS3CYP1A2
Lysine SCHEMBL28697152 0.86 GSR (0.80) GSRNOS1NOS2NOS3CYP1A2
Lysine SCHEMBL50314 0.86 GSR (0.80) GSRNOS1NOS2NOS3CYP1A2
Lysine SCHEMBL28241453 0.86 GSR (0.80) GSRNOS1NOS2NOS3CYP1A2
Lysine SCHEMBL27006 0.86 GSR (0.80) GSRNOS1NOS2NOS3CYP1A2
Lysine SCHEMBL273455 0.86 GSR (0.80) GSRNOS1NOS2NOS3CYP1A2
Lysine SCHEMBL28185340 0.86 GSR (0.80) GSRNOS1NOS2NOS3CYP1A2

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-6653432-B2 Cyclization and trimerization of polyisocyanates in presence of rare earth alcoholate; terminating reaction by deactivation of catalysts; distillation RHODIA CHIMIE (FR) 2003-11-25 US disclosed
US-20030130467-A1 Condensation polymerisation method for isocyanates VENCOREX FRANCE (FR) 2003-07-10 US disclosed