Valine

Valine

SCHEMBL247488

CC(C)C(N)C(=O)O.O=S(=O)(O)O

nearest known ligand 0.79

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Valine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.79
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
SLC1A1 P43005 3/20 0.41
TP53 P04637 2/20 0.37
PMP22 Q01453 1/20 0.35
DPP4 P27487 1/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
LAP3 P28838 1/20 0.35
GRM5 P41594 4/20 0.34
GRM1 Q13255 2/20 0.34

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
Valine SCHEMBL27873291 1.00 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL247489 1.00 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL28174037 0.97 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL28174036 0.97 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL28174038 0.97 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL17874440 0.92 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL9376703 0.92 SLC7A5 (0.75) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL9205010 0.90 SLC7A5 (0.71) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL974879 0.90 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL8516 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0554422-B1 USE OF DL-VALIN, ITS ESTERS AND/OR ITS SALTS IN THE TREATMENT OF DANDRUFF WELLA AG (DE) 1995-08-30 EP claimed
CN-102698808-B The purposes of a kind of composite catalyst and clean catalytic oxidization cyclohexene synthesizing adipic acid thereof BEIJING XUYANG CHEMICAL TECHNOLOGY RESEARCH INSTITUTE CO., LTD. (CN) 2015-07-29 CN disclosed
US-8952217-B2 Process for decreasing verbascose in a plant by expression of a chloroplast-targeted fimD protein METANOMICS GMBH (DE) 2015-02-10 US disclosed
US-20140325709-A1 PROCESS FOR THE PRODUCTION OF FINE CHEMICALS METANOMICS GMBH (DE) 2014-10-30 US disclosed
US-20130198911-A1 Process for the Production of Fine Chemicals BASF PLANT SCIENCE GMBH (DE) 2013-08-01 US disclosed
EP-2573188-A2 Process for the production of fine chemicals Metanomics GmbH (DE) 2013-03-27 EP disclosed
EP-2434019-A1 Process for the production of fine chemicals BASF Plant Science GmbH (DE) 2012-03-28 EP disclosed
US-20120005777-A1 Process for the Production of Fine Chemicals BASF PLANT SCIENCE GMBH (DE) 2012-01-05 US disclosed
EP-2368905-A2 Process for the control of production of fine chemicals Metanomics GmbH (DE) 2011-09-28 EP disclosed
US-8008545-B2 Process for the production of fine chemicals BASF PLANT SCIENCE GMBH (DE) 2011-08-30 US disclosed
US-20060137042-A1 Process for the production of fine chemicals BASF PLANT SCIENCE GMBH (DE) 2006-06-22 US disclosed
EP-1654368-A2 PROCESS FOR THE PRODUCTION OF FINE CHEMICALS BASF Plant Science GmbH (DE) 2006-05-10 EP disclosed
WO-2005014828-A2 PROCESS FOR THE PRODUCTION OF FINE CHEMICALS IN PLANTS BASF PLANT SCIENCE GMBH (DE) 2005-02-17 WO disclosed
CN-1151887-C L-hydrosulformidate type chiral ionic liquid and its prepn 华东师范大学 2004-06-02 CN disclosed
CN-1150994-C L-sulforamidate type chiral ionic liquid and its prepn 华东师范大学 2004-05-26 CN disclosed
EP-1414985-A2 PROCESS FOR THE FERMENTATIVE PREPARATION OF L-AMINO ACIDS USING CORYNEFORM BACTERIA Degussa AG (DE) 2004-05-06 EP disclosed
CN-1383920-A L-sulforamidate type chiral ionic liquid and its prepn UNIV HUADONG (CN) 2002-12-11 CN disclosed
CN-1383921-A L-hydrosulformidate type chiral ionic liquid and its prepn UNIV HUADONG (CN) 2002-12-11 CN disclosed
US-20020168732-A1 Process for the fermentative preparation of L-amino acids using coryneform bacteria DEGUSSA AG (DE) 2002-11-14 US disclosed
WO-2002038788-A2 PROCESS FOR THE FERMENTATIVE PREPARATION OF L-AMINO ACIDS USING CORYNEFORM BACTERIA DEGUSSA AG (DE) 2002-05-16 WO disclosed