Lysine

Lysine

SCHEMBL2325003

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

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

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 20)

geneUniProtsupporting neighboursconfidence
PTGS1 known ✓ P23219 1/20 0.60
GSR P00390 1/20 0.67
ALDH1A1 P00352 1/20 0.60
MAPT P10636 1/20 0.60
CPB2 Q96IY4 4/20 0.46
RNPEP Q9H4A4 1/20 0.46
ARG2 P78540 4/20 0.43
ARG1 P05089 3/20 0.43
NOS2 P35228 5/20 0.42
NOS1 P29475 4/20 0.42
NOS3 P29474 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.41
GRIK1 P39086 1/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
GRIK2 Q13002 1/20 0.40
MEN1 O00255 1/20 0.40

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 SCHEMBL2325000 1.00 GSR (0.67) GSRALDH1A1MAPTPTGS1CPB2
Dl-Penicillamine SCHEMBL16011677 0.95 ALDH1A1 (0.62) GSRALDH1A1MAPTPTGS1CPB2
Penicillamine SCHEMBL16011676 0.95 ALDH1A1 (0.62) GSRALDH1A1MAPTPTGS1CPB2
Lysine SCHEMBL28207652 0.87 GSR (0.50) GSRALDH1A1MAPTPTGS1CPB2
Lysine SCHEMBL28080783 0.82 GSR (0.91) GSRCPB2RNPEPARG2ARG1
Lysine SCHEMBL18396695 0.82 GSR (0.91) GSRCPB2RNPEPARG2ARG1
Lysine SCHEMBL31541159 0.82 GSR (0.91) GSRCPB2RNPEPARG2ARG1
Lysine SCHEMBL18396696 0.82 GSR (0.91) GSRCPB2RNPEPARG2ARG1
Lysine SCHEMBL1645 0.82 GSR (1.00) GSRCPB2RNPEPARG2ARG1
Lysine SCHEMBL9439278 0.82 GSR (1.00) GSRCPB2RNPEPARG2ARG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009043114-A1 ARSENOXIDE COMPOUND AND METHOD OF USE NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2009-04-09 WO claimed
EP-3362071-A1 CRYSTALLIZATION METHOD AND BIOAVAILABILITY Grünenthal GmbH (DE) 2018-08-22 EP disclosed
WO-2017049294-A1 CRYSTALLIZATION METHOD AND BIOAVAILABILITY THAR PHARMACEUTICALS, INC. (US) 2017-03-23 WO disclosed
WO-2011097269-A9 CRYSTALLIZATION METHOD AND BIOAVAILABILITY THAR PHARMACEUTICALS, INC. (US) 2012-12-27 WO disclosed
EP-2531200-A1 CRYSTALLIZATION METHOD AND BIOAVAILABILITY Thar Pharmaceuticals, Inc. (US) 2012-12-12 EP disclosed
WO-2011097269-A1 CRYSTALLIZATION METHOD AND BIOAVAILABILITY THAR PHARMACEUTICALS, INC. (US) 2011-08-11 WO disclosed
WO-2009043114-A1 ARSENOXIDE COMPOUND AND METHOD OF USE NEWSOUTH INNOVATIONS PTY LIMITED (AU) 2009-04-09 WO disclosed