Valine

Valine

SCHEMBL4409201

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

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.58
SLC1A1 P43005 4/20 0.42
SLC1A3 P43003 4/20 0.42
SLC1A2 P43004 4/20 0.42
USP2 O75604 1/20 0.42
SLCO1B1 Q9Y6L6 1/20 0.42
PTGS1 P23219 1/20 0.35
SLC7A11 Q9UPY5 1/20 0.35
GRIK1 P39086 2/20 0.35
GRIK2 Q13002 1/20 0.35
GRM1 Q13255 1/20 0.35
GRM2 Q14416 1/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
ALDH1A1 P00352 1/20 0.34
GRIA2 P42262 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIK3 Q13003 1/20 0.34
GRIK5 Q16478 1/20 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 SCHEMBL4409187 1.00 SLC7A5 (0.58) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Threonine SCHEMBL27468644 0.94 USP2 (0.47) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Threonine SCHEMBL9139658 0.94 USP2 (0.47) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Threonine SCHEMBL7730685 0.94 USP2 (0.47) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Threonine SCHEMBL103941 0.94 USP2 (0.47) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Threonine SCHEMBL9139632 0.94 USP2 (0.47) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Threonine SCHEMBL1537268 0.94 USP2 (0.47) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Threonine SCHEMBL5710205 0.94 USP2 (0.47) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Threonine SCHEMBL1537265 0.94 USP2 (0.47) SLC7A5SLC1A1SLC1A3SLC1A2USP2
Threonine SCHEMBL103943 0.94 USP2 (0.47) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0210257-A4 PROTEIN WHICH IS CHARACTERISTIC OF RHEUMATOID ARTHRITIS. HURWITZ CHARLES (US) 1988-01-20 EP claimed
EP-0210257-A1 PROTEIN WHICH IS CHARACTERISTIC OF RHEUMATOID ARTHRITIS HURWITZ, Charles (US) 1987-02-04 EP claimed
WO-1986004588-A1 PROTEIN WHICH IS CHARACTERISTIC OF RHEUMATOID ARTHRITIS HURWITZ CHARLES (US) 1986-08-14 WO claimed
EP-2042601-A1 Novel variant EGIII-like cellulase compositions Genencor International, Inc. (US) 2009-04-01 EP disclosed
EP-1305431-A2 MUTANT TRICHODERMA REESEI EGIII CELLULASES, DNA ENCODING SUCH EGIII COMPOSITIONS AND METHODS FOR OBTAINING SAME GENENCOR INTERNATIONAL, INC. (US) 2003-05-02 EP disclosed
WO-2002012464-A2 MUTANT TRICHODERMA REESEI EGIII CELLULASES DNA ENCODING SUCH EGIII COMPOSITIONS AND METHODS FOR OBTAINING SAME GENENCOR INTERNATIONAL, INC. (US) 2002-02-14 WO disclosed