Valine

Valine

SCHEMBL4045692

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

nearest known ligand 0.71

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.71
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
ACE2 Q9BYF1 1/20 0.45
GPR84 Q9NQS5 3/20 0.45
FFAR1 O14842 1/20 0.45
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44
DPP7 Q9UHL4 1/20 0.44
SLC1A3 P43003 1/20 0.44
MAPT P10636 1/20 0.43
TP53 P04637 1/20 0.43
LCK P06239 1/20 0.43
PPARD Q03181 1/20 0.43
ZDHHC20 Q5W0Z9 1/20 0.43
ZDHHC2 Q9UIJ5 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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 SCHEMBL11005807 0.98 SLC7A5 (0.68) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Dodecane SCHEMBL28109673 0.98 SLC7A5 (0.68) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Valine SCHEMBL28555130 0.92 SLC7A5 (0.60) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Valine SCHEMBL11876966 0.90 SLC7A5 (0.79) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Tetrabuthylammonium SCHEMBL18878892 0.90 SLC7A5 (0.58) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Valine SCHEMBL2383315 0.90 SLC7A5 (0.58) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Tetrabuthylammonium SCHEMBL18878889 0.90 SLC7A5 (0.58) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Valine SCHEMBL2544663 0.90 SLC7A5 (0.58) SLC7A5GRIK1GRIK2SLC1A2SLC1A1
Valine SCHEMBL786889 0.90 SLC7A5 (0.58) SLC7A5GPR84FFAR1MAPTPPARD
Valine SCHEMBL27206170 0.90 SLC7A5 (0.58) SLC7A5GRIK1GRIK2SLC1A2SLC1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2081892-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS Queen's University at Kingston (CA) 2009-07-29 EP disclosed
WO-2008058402-A1 COMPOUNDS AND METHODS FOR TREATING PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-05-22 WO disclosed
EP-1893576-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2008-03-05 EP disclosed
WO-2006125324-A1 TREATMENT OF PROTEIN FOLDING DISORDERS QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-11-30 WO disclosed
CN-1050836-C Macrocyclic bifunctional chelants, complexes threof and their antibody conjugates DOW CHEMICAL CO (US) 2000-03-29 CN disclosed
CN-1033030-C Macrocyclic bifunctional chelating agents, complexes thereof and methods for preparing antibody conjugates DOW CHEMICAL CO (US) 1996-10-16 CN disclosed
CN-1109469-A Macrocyclic bifunctional chelants, complexes threof and their antibody conjugates DOW CHEMICAL CO (US) 1995-10-04 CN disclosed
CN-1044095-A Macrocyclic bifunctional chelating agents, complexes thereof and antibody conjugates thereof DOW CHEMICAL CO (US) 1990-07-25 CN disclosed