Valine

Valine

SCHEMBL28338552

CC(C)C(N)C(=O)O.CC(O)C(N)C(=O)O.NC(CO)C(=O)O.NCC(=O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

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 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.50
SLC1A1 P43005 4/20 0.38
SLC1A3 P43003 4/20 0.38
SLC1A2 P43004 4/20 0.38
USP2 O75604 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
GSR P00390 2/20 0.33
GRIK1 P39086 2/20 0.33
GRIK2 Q13002 2/20 0.33
GRM1 Q13255 2/20 0.33
GRM2 Q14416 2/20 0.33
GLRA1 P23415 1/20 0.33
SLC6A9 P48067 1/20 0.33
OR51E2 Q9H255 1/20 0.33
GRM8 O00222 1/20 0.33
GRM6 O15303 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
CYP1A2 P05177 1/20 0.33
GRM5 P41594 1/20 0.33

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 SCHEMBL23610284 1.00 SLC7A5 (0.50) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Threonine SCHEMBL9228477 0.95 USP2 (0.41) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Threonine SCHEMBL28173644 0.95 USP2 (0.41) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Threonine SCHEMBL2076959 0.95 USP2 (0.41) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Threonine SCHEMBL21332591 0.95 USP2 (0.41) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Valine SCHEMBL4409187 0.93 SLC7A5 (0.58) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Valine SCHEMBL5320799 0.93 SLC7A5 (0.58) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Valine SCHEMBL4409201 0.93 SLC7A5 (0.58) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Valine SCHEMBL5320793 0.93 SLC7A5 (0.58) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Valine SCHEMBL7869516 0.93 PTGS1 (0.46) SLC7A5SLC1A1SLC1A3SLC1A2USP2

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
CN-110573615-B Polyvinyl alcohol degrading enzyme and method for producing same 株式会社林原 2024-03-08 CN disclosed
CN-110573615-A Polyvinyl alcohol degrading enzyme and method for producing same 株式会社林原 2019-12-13 CN disclosed