Valine

Valine

SCHEMBL8619989

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

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.60
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC1A2 P43004 3/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A1 P43005 2/20 0.33
DPP4 P27487 2/20 0.33
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ACHE P22303 1/20 0.30

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 SCHEMBL8619981 1.00 SLC7A5 (0.60) SLC7A5POLBALDH1A1MAPTPTGS1
Valine SCHEMBL9539760 0.79 SLC7A5 (0.71) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
Valine SCHEMBL4639152 0.79 SLC7A5 (0.71) SLC7A5SLC1A2SLC1A3SLC1A1DPP4
Valine SCHEMBL10478874 0.79 SLC7A5 (0.71) SLC7A5ALDH1A1MAPTPTGS1SLC1A2
Valine SCHEMBL10478869 0.79 SLC7A5 (0.71) SLC7A5ALDH1A1MAPTPTGS1SLC1A2
Valine SCHEMBL9120364 0.79 SLC7A5 (0.71) SLC7A5ALDH1A1MAPTPTGS1SLC1A2
Valine SCHEMBL15602719 0.78 SLC7A5 (0.88) SLC7A5ALDH1A1MAPTPTGS1SLC1A2
Valine SCHEMBL27571970 0.78 SLC7A5 (0.88) SLC7A5ALDH1A1MAPTPTGS1SLC1A2
Valine SCHEMBL756026 0.78 SLC7A5 (0.88) SLC7A5ALDH1A1MAPTPTGS1SLC1A2
Valine SCHEMBL935768 0.78 SLC7A5 (0.88) SLC7A5ALDH1A1MAPTPTGS1SLC1A2

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
US-5786428-A POLYMER MATRIX OF UNSATURATED MONOMER AND METAL COMPLEX HAVING A LIGAND AND A POLYMERIZABLE UNSATURATED MOIETY; EFFICIENT, RAPID AND SIMPLE PURIFICATION; MEDICAL DIAGNOSIS; CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-07-28 US claimed
US-5786428-A POLYMER MATRIX OF UNSATURATED MONOMER AND METAL COMPLEX HAVING A LIGAND AND A POLYMERIZABLE UNSATURATED MOIETY; EFFICIENT, RAPID AND SIMPLE PURIFICATION; MEDICAL DIAGNOSIS; CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 1998-07-28 US disclosed