Valine

Valine

SCHEMBL3798706

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

nearest known ligand 0.75

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 0.75
GLRA1 P23415 1/20 0.50
SLC6A9 P48067 1/20 0.50
OR51E2 Q9H255 1/20 0.50
SLC1A3 P43003 3/20 0.41
SLC1A2 P43004 3/20 0.41
SLC1A1 P43005 3/20 0.41
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41

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 SCHEMBL599032 1.00 SLC7A5 (0.75) SLC7A5GLRA1SLC6A9OR51E2SLC1A3
Valine SCHEMBL16570726 1.00 SLC7A5 (0.75) SLC7A5GLRA1SLC6A9OR51E2SLC1A3
Valine SCHEMBL599031 1.00 SLC7A5 (0.75) SLC7A5GLRA1SLC6A9OR51E2SLC1A3
Valine SCHEMBL2586572 1.00 SLC7A5 (0.75) SLC7A5GLRA1SLC6A9OR51E2SLC1A3
Valine SCHEMBL5494142 1.00 SLC7A5 (0.75) SLC7A5GLRA1SLC6A9OR51E2SLC1A3
Valine SCHEMBL6744292 1.00 SLC7A5 (0.75) SLC7A5GLRA1SLC6A9OR51E2SLC1A3
Valine SCHEMBL4412378 1.00 SLC7A5 (0.75) SLC7A5GLRA1SLC6A9OR51E2SLC1A3
Valine SCHEMBL28182547 0.98 SLC7A5 (0.71) SLC7A5GLRA1SLC6A9OR51E2SLC1A3
Valine SCHEMBL11018927 0.95 SLC7A5 (0.68) SLC7A5GLRA1SLC6A9OR51E2SLC1A3
Valine SCHEMBL10705523 0.95 SLC7A5 (0.68) SLC7A5GLRA1SLC6A9OR51E2SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210054033-A1 METHODS AND COMPOSITIONS FOR USE OF RECOMBINANT BACTERIAL EFFECTOR PROTEINS AS ANTI-INFLAMMATORY AGENTS THE WISTAR INSTITUTE OF ANATOMY AND BIOLOGY 2021-02-25 US disclosed
WO-2019147988-A1 METHODS AND COMPOSITIONS FOR USE OF RECOMBINANT BACTERIAL EFFECTOR PROTEINS AS ANTI-INFLAMMATORY AGENTS INNATE BIOLOGICS LLC (US) 2019-08-01 WO disclosed
US-20130115230-A1 DELIVERY PROTEINS AUGMENTA BIOLOGICALS, LLC (US) 2013-05-09 US disclosed
US-20130071413-A1 TARGETED IMMUNE CONJUGATES AUGMENTA BIOLOGICALS, LLC (US) 2013-03-21 US disclosed
US-20100003266-A1 TARGETED IMMUNE CONJUGATES AUGMENTA BIOLOGICALS, LLC 2010-01-07 US disclosed