Valine

Valine

SCHEMBL2017287

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

nearest known ligand 0.88

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.88
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
TP53 P04637 1/20 0.40
DPP4 P27487 1/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
LAP3 P28838 1/20 0.38
USP2 O75604 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
LTA4H P09960 1/20 0.35
GABRP O00591 3/20 0.35
GABRD O14764 3/20 0.35
GABRA1 P14867 3/20 0.35
GABRB1 P18505 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 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
Valine SCHEMBL229819 1.00 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL10710877 1.00 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL3076649 1.00 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL229818 1.00 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL17113862 1.00 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL3486854 1.00 SLC7A5 (0.88) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL27597271 0.95 SLC7A5 (0.79) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL1813972 0.94 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53
Valine SCHEMBL8516 0.94
Valine SCHEMBL288203 0.94 SLC7A5 (1.00) SLC7A5SLC1A3SLC1A2SLC1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3122902-A1 METHOD OF PREDICTING THE TUMOR RESPONSE TO DNA METHYLATION INHIBITORS AND ALTERNATIVE THERAPEUTIC REGIMEN FOR OVERCOMING RESISTANCE Palacký University In Olomouc (CZ) 2017-02-01 EP claimed
WO-2015144102-A1 METHOD OF PREDICTING THE TUMOR RESPONSE TO DNA METHYLATION INHIBITORS AND ALTERNATIVE THERAPEUTIC REGIMEN FOR OVERCOMING RESISTANCE PALACKY UNIVERSITY, OLOMOUC (CZ) 2015-10-01 WO claimed
EP-3122902-A1 METHOD OF PREDICTING THE TUMOR RESPONSE TO DNA METHYLATION INHIBITORS AND ALTERNATIVE THERAPEUTIC REGIMEN FOR OVERCOMING RESISTANCE Palacký University In Olomouc (CZ) 2017-02-01 EP disclosed
WO-2015144102-A1 METHOD OF PREDICTING THE TUMOR RESPONSE TO DNA METHYLATION INHIBITORS AND ALTERNATIVE THERAPEUTIC REGIMEN FOR OVERCOMING RESISTANCE PALACKY UNIVERSITY, OLOMOUC (CZ) 2015-10-01 WO disclosed
WO-2011078893-A1 DERIVATIVES OF APF AND METHODS OF USE THE UNIVERSITY OF MARYLAND, BALTIMORE (US) 2011-06-30 WO disclosed
WO-2004009625-A2 PEPTIDES AND PEPTIDE DERIVATIVES FOR THE TREATMENT OF α-SYNUCLEIN-RELATED DISEASES THE UNIVERSITY OF LANCASTER (GB) 2004-01-29 WO disclosed