Lysine

Lysine

SCHEMBL9070593

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

nearest known ligand 0.87

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 15)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.87
NOS2 P35228 5/20 0.56
NOS1 P29475 4/20 0.56
NOS3 P29474 3/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
TSHR P16473 1/20 0.56
BLM P54132 1/20 0.55
ARG2 P78540 4/20 0.53
ARG1 P05089 3/20 0.53
MEN1 O00255 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
RNPEP Q9H4A4 1/20 0.52
CPB2 Q96IY4 1/20 0.49

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 SCHEMBL29126333 1.00 GSR (0.87) GSRNOS2NOS1NOS3CYP1A2
Lysine SCHEMBL30642401 1.00 GSR (0.87) GSRNOS2NOS1NOS3CYP1A2
Lysine SCHEMBL30642405 1.00 GSR (0.87) GSRNOS2NOS1NOS3CYP1A2
Lysine SCHEMBL29397119 1.00 GSR (0.87) GSRNOS2NOS1NOS3CYP1A2
Lysine SCHEMBL28422142 1.00 GSR (0.87) GSRNOS2NOS1NOS3CYP1A2
Lysine SCHEMBL124167 1.00 GSR (0.87) GSRNOS2NOS1NOS3CYP1A2
Lysine SCHEMBL7131633 1.00 GSR (0.87) GSRNOS2NOS1NOS3CYP1A2
Lysine SCHEMBL2400402 1.00 GSR (0.87) GSRNOS2NOS1NOS3CYP1A2
Lysine SCHEMBL2400405 1.00 GSR (0.87) GSRNOS2NOS1NOS3CYP1A2
Lysine SCHEMBL30647269 1.00 GSR (0.87) GSRNOS2NOS1NOS3CYP1A2

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-5543316-A INCLUDING A SUGAR, A SERUM ALBUMIN, A CALCIUM SALT, A PHOSPHATE SALT, A SOURCE OF IRON, AMINO ACIDS, VITAMINS, GROUP I SALT AND A GROUP II SALT DIACRIN, INC. (US) 1996-08-06 US claimed
US-5543316-A INCLUDING A SUGAR, A SERUM ALBUMIN, A CALCIUM SALT, A PHOSPHATE SALT, A SOURCE OF IRON, AMINO ACIDS, VITAMINS, GROUP I SALT AND A GROUP II SALT DIACRIN, INC. (US) 1996-08-06 US disclosed