Arginine

Arginine

SCHEMBL285989

N=C(N)NCCC[C@H](N)C(=O)O.N[C@@H](Cc1ccccc1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACE

The experimentally established mechanism targets of Arginine. 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
CTSC P53634 2/20 0.43
ALPI P09923 1/20 0.42
PKM P14618 1/20 0.42
PTGS1 P23219 1/20 0.42
XIAP P98170 1/20 0.42
SLC7A5 Q01650 1/20 0.42
ANPEP P15144 1/20 0.38
RNPEP Q9H4A4 1/20 0.38
DNPEP Q9ULA0 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
NPY4R P50391 3/20 0.35
NPY1R P25929 2/20 0.35
NPY2R P49146 2/20 0.35
NPY5R Q15761 2/20 0.35
DPP4 P27487 2/20 0.35
DPP8 Q6V1X1 2/20 0.35
DPP9 Q86TI2 2/20 0.35

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
Arginine SCHEMBL29129604 1.00 CTSC (0.43) CTSCALPIPKMPTGS1XIAP
Arginine SCHEMBL515138 1.00 CTSC (0.43) CTSCALPIPKMPTGS1XIAP
Arginine SCHEMBL28444628 0.98 CTSC (0.42) CTSCALPIPKMPTGS1XIAP
Arginine SCHEMBL27385572 0.98 CTSC (0.42) CTSCALPIPKMPTGS1XIAP
Arginine SCHEMBL11905110 0.97 ALPI (0.41) CTSCALPIPKMPTGS1XIAP
Arginine SCHEMBL27686839 0.96 CTSC (0.41) CTSCALPIPKMPTGS1XIAP
Arginine SCHEMBL5071059 0.96 CTSC (0.41) CTSCALPIPKMPTGS1XIAP
Arginine SCHEMBL3656565 0.96 CTSC (0.41) CTSCALPIPKMPTGS1XIAP
Arginine SCHEMBL10428541 0.95 CTSC (0.40) CTSCALPIPKMPTGS1XIAP
Arginine SCHEMBL4284805 0.95 CTSC (0.40) CTSCALPIPKMPTGS1XIAP

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180119198-A1 Methods, Compositions and Kits for High Throughput Kinase Activity Screening Using Mass Spectrometry and Stable Isotopes HARVARD COLLEGE (US) 2018-05-03 US claimed
EP-2347263-B1 METHODS, COMPOSITIONS AND KITS FOR HIGH THROUGHPUT KINASE ACTIVITY SCREENING USING MASS SPECTROMETRY AND STABLE ISOTOPES HARVARD COLLEGE (US) 2017-05-17 EP claimed
US-9091700-B2 Modified peptide substrate MCMASTER UNIVERSITY (CA) 2015-07-28 US claimed
US-20120208225-A1 MODIFIED PEPTIDE SUBSTRATE THE UNIVERSITY OF MELBOURNE (AU) 2012-08-16 US claimed
US-20110269161-A1 Methods, Compositions and Kits for High Throughput Kinase Activity Screening Using Mass Spectrometry and Stable Isotopes PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-03 US claimed
CN-108707184-B Mass spectrum probe for thrombin activity detection and preparation method and application thereof 浙江大学 2021-01-29 CN disclosed
US-10407712-B2 Methods, compositions and kits for high throughput kinase activity screening using mass spectrometry and stable isotopes PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2019-09-10 US disclosed
US-10131932-B2 Method for assaying a protease MCMASTER UNIVERSITY 2018-11-20 US disclosed
EP-3047033-B1 METHOD FOR ASSAYING A PROTEASE UNIV MCMASTER (CA) 2018-08-22 EP disclosed
US-20180119198-A1 Methods, Compositions and Kits for High Throughput Kinase Activity Screening Using Mass Spectrometry and Stable Isotopes HARVARD COLLEGE (US) 2018-05-03 US disclosed
EP-2347263-B1 METHODS, COMPOSITIONS AND KITS FOR HIGH THROUGHPUT KINASE ACTIVITY SCREENING USING MASS SPECTROMETRY AND STABLE ISOTOPES HARVARD COLLEGE (US) 2017-05-17 EP disclosed
US-20160326569-A1 METHOD FOR ASSAYING A PROTEASE MCMASTER UNIVERSITY (CA) 2016-11-10 US disclosed
US-20120208225-A1 MODIFIED PEPTIDE SUBSTRATE THE UNIVERSITY OF MELBOURNE (AU) 2012-08-16 US disclosed
US-20120135931-A1 METHOD OF MODIFYING SERINE PROTEASE INHIBITORS NATURAL ENVIRONMENT RESEARCH COUNCIL (GB) 2012-05-31 US disclosed
EP-2427487-A2 METHOD OF MODIFYING SERINE PROTEASE INHIBITORS Natural Environment Research Council (GB) 2012-03-14 EP disclosed
US-20110269161-A1 Methods, Compositions and Kits for High Throughput Kinase Activity Screening Using Mass Spectrometry and Stable Isotopes PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2011-11-03 US disclosed
WO-2010128285-A2 METHOD OF MODIFYING SERINE PROTEASE INHIBITORS NATURAL ENVIRONMENT RESEARCH COUNCIL (GB) 2010-11-11 WO disclosed
EP-0948308-A1 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER PRODUCTS, INC. (US) 1999-10-13 EP disclosed
WO-1999004752-A9 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER (US) 1999-04-08 WO disclosed
WO-1999004752-A2 METHODS FOR TREATING SKIN PIGMENTATION JOHNSON & JOHNSON CONSUMER COMPANIES, INC. (US) 1999-02-04 WO disclosed