Isoleucine

Isoleucine

SCHEMBL388791

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nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Isoleucine. 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
SLC1A3 P43003 4/20 0.37
SLC1A2 P43004 4/20 0.37
SLC1A1 P43005 3/20 0.37
SLC7A5 Q01650 1/20 0.36
GRIK1 P39086 9/20 0.34
GRIA4 P48058 3/20 0.34
GRIK3 Q13003 3/20 0.34
GRIK5 Q16478 3/20 0.34
GRIK2 Q13002 5/20 0.33
GRIA2 P42262 2/20 0.33
GRIA1 P42261 1/20 0.33
DPP4 P27487 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
ALOX15 P16050 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
Isoleucine SCHEMBL27709387 1.00 SLC1A3 (0.37) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL384266 0.96 SLC7A5 (0.40) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL19813749 0.96 SLC7A5 (0.40) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL28445029 0.94 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL1965718 0.94 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL610595 0.94 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL8579283 0.94 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL4617349 0.94 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Isoleucine SCHEMBL4611263 0.94 SLC7A5 (0.38) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1
Asparagine SCHEMBL22382261 0.91 SLC7A5 (0.42) SLC1A3SLC1A2SLC1A1SLC7A5GRIK1

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
US-8101716-B2 Human interferon-beta mutein Shin, Young Kee (KR) 2012-01-24 US disclosed
EP-1809661-B1 HUMAN INTERFERON-BETA MUTEIN SHIN YOUNG KEE (KR) 2011-05-18 EP disclosed
US-20100003721-A1 HUMAN INTERFERON-BETA MUTEIN Shin, Young Kee (KR) 2010-01-07 US disclosed
EP-1809661-A4 HUMAN INTERFERON-BETA MUTEIN SHIN YOUNG KEE (KR) 2008-02-06 EP disclosed
EP-1809661-A1 HUMAN INTERFERON-BETA MUTEIN Shin, Young Kee (KR) 2007-07-25 EP disclosed
WO-2006049423-A1 HUMAN INTERFERON-BETA MUTEIN SAMSUNG FINE CHEMICALS CO LTD (KR) 2006-05-11 WO disclosed