Valine

Valine

SCHEMBL3498554

CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.NCC(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

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 1/20 0.43
NOS2 P35228 2/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
PRCP P42785 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
CYP2C19 P33261 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIA1 P42261 1/20 0.33
GRIA2 P42262 1/20 0.33
GRIA3 P42263 1/20 0.33
GRIA4 P48058 1/20 0.33
GRIN1 Q05586 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 SCHEMBL27639988 1.00 SLC7A5 (0.43) SLC7A5NOS2NOS3NOS1PRCP
Valine SCHEMBL4612513 1.00 SLC7A5 (0.43) SLC7A5NOS2NOS3NOS1PRCP
Valine SCHEMBL27702742 1.00 SLC7A5 (0.43) SLC7A5NOS2NOS3NOS1PRCP
Valine SCHEMBL3100209 1.00 SLC7A5 (0.43) SLC7A5NOS2NOS3NOS1PRCP
Valine SCHEMBL4613217 1.00 SLC7A5 (0.43) SLC7A5NOS2NOS3NOS1PRCP
Valine SCHEMBL27683531 1.00 SLC7A5 (0.43) SLC7A5NOS2NOS3NOS1PRCP
Valine SCHEMBL1675269 1.00 SLC7A5 (0.43) SLC7A5NOS2NOS3NOS1PRCP
Valine SCHEMBL3496376 1.00 SLC7A5 (0.43) SLC7A5NOS2NOS3NOS1PRCP
Valine SCHEMBL84548 1.00 SLC7A5 (0.43) SLC7A5NOS2NOS3NOS1PRCP
Valine SCHEMBL6514171 1.00 SLC7A5 (0.43) SLC7A5NOS2NOS3NOS1PRCP

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
EP-1054677-B1 COSMETIC OR DERMATOLOGICAL USE OF 7-HYDROXYLATED STEROIDS ALONE AND/OR IN COMBINATION WITH ELASTIN DERIVED PEPTIDES CONNECTIVE TISSUE IMAGINEERING (US) 2008-10-22 EP claimed
US-20100143364-A1 Chimeric Antibodies, Compositions and Methods for Treating Cocaine-Related Disorders VYBION, INC. (US) 2010-06-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100143364-A1 Chimeric Antibodies, Compositions and Methods for Treating Cocaine-Related Disorders CES2, CHRNA5, CHRNA3 SLC7A5 4325/4885NOS2 4103/4885NOS3 3328/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.