Isoleucine

Isoleucine

SCHEMBL16401005

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

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC1A1 P43005 4/20 0.44
▸ SLC1A3 P43003 4/20 0.44
▸ SLC1A2 P43004 4/20 0.44
▸ SLC7A5 Q01650 2/20 0.43
▸ DPP4 P27487 4/20 0.41
▸ DPP8 Q6V1X1 3/20 0.41
▸ DPP9 Q86TI2 3/20 0.41
▸ USP2 O75604 1/20 0.39
▸ SLCO1B1 Q9Y6L6 1/20 0.39
▸ GRIK1 P39086 2/20 0.37
▸ GRIK2 Q13002 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ SLC7A11 Q9UPY5 1/20 0.37
▸ DPP7 Q9UHL4 2/20 0.37
▸ GRIA4 P48058 1/20 0.36
▸ GRIK3 Q13003 1/20 0.36
▸ GRIK5 Q16478 1/20 0.36

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 SCHEMBL1537449 1.00 SLC1A1 (0.44) SLC1A1SLC1A3SLC1A2SLC7A5DPP4
Isoleucine SCHEMBL18694957 1.00 SLC1A1 (0.44) SLC1A1SLC1A3SLC1A2SLC7A5DPP4
Isoleucine SCHEMBL3653477 1.00 SLC1A1 (0.44) SLC1A1SLC1A3SLC1A2SLC7A5DPP4
Isoleucine SCHEMBL1537443 1.00 SLC1A1 (0.44) SLC1A1SLC1A3SLC1A2SLC7A5DPP4
Isoleucine SCHEMBL7722171 0.94 SLC7A5 (0.54) SLC1A1SLC1A3SLC1A2SLC7A5DPP4
Isoleucine SCHEMBL16401105 0.93 SLC1A1 (0.39) SLC1A1SLC1A3SLC1A2SLC7A5DPP4
Isoleucine SCHEMBL8886412 0.93 SLC1A1 (0.39) SLC1A1SLC1A3SLC1A2SLC7A5DPP4
Isoleucine SCHEMBL22664570 0.93 SLC1A1 (0.39) SLC1A1SLC1A3SLC1A2SLC7A5DPP4
Leucine SCHEMBL27481735 0.91 SLC7A5 (0.60) SLC1A1SLC1A3SLC1A2SLC7A5DPP4
Isoleucine SCHEMBL27304644 0.90 SLC1A1 (0.41) SLC1A1SLC1A3SLC1A2SLC7A5GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014194809-A1 NEW COMPOUNDS HAVING TRIPLE ACTIVITIES OF THROMBOLYSIS, ANTITHROMBOTIC AND RADICAL SCAVENGING, AND SYNTHESIS, NANO-STRUCTURE AND USE THEREOF 永光制药有限公司 (CN) 2014-12-11 — — WO disclosed
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