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Sugi Predict / Compounds / Isoleucine

Isoleucine

Isoleucine

SCHEMBL4611263

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

nearest known ligand 0.38

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 13)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.38
▸ SLC1A3 P43003 2/20 0.33
▸ SLC1A2 P43004 2/20 0.33
▸ SLC1A1 P43005 2/20 0.33
▸ GRIK1 P39086 5/20 0.31
▸ GRIA4 P48058 3/20 0.31
▸ GRIK3 Q13003 3/20 0.31
▸ GRIK5 Q16478 3/20 0.31
▸ GRIK2 Q13002 3/20 0.30
▸ GRM1 Q13255 1/20 0.30
▸ GRM2 Q14416 1/20 0.30
▸ GRIA2 P42262 2/20 0.30
▸ GRIA1 P42261 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
Isoleucine SCHEMBL19813749 0.97 SLC7A5 (0.40) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Isoleucine SCHEMBL384266 0.97 SLC7A5 (0.40) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Isoleucine SCHEMBL27709387 0.94 SLC1A3 (0.37) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Isoleucine SCHEMBL388791 0.94 SLC1A3 (0.37) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Isoleucine SCHEMBL23645012 0.92 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Isoleucine SCHEMBL20913231 0.92 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Isoleucine SCHEMBL20913224 0.92 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Isoleucine SCHEMBL20913227 0.92 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Isoleucine SCHEMBL20913222 0.92 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1
Isoleucine SCHEMBL386322 0.92 SLC7A5 (0.44) SLC7A5SLC1A3SLC1A2SLC1A1GRIK1

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
EP-1498476-B1 MUTATED ALKALINE CELLULASE KAO CORP (JP) 2008-10-15 — — EP claimed
US-7364891-B2 Mutated alkaline cellulase KAO CORPORATION (JP) 2008-04-29 — — US claimed
EP-1498476-B1 MUTATED ALKALINE CELLULASE KAO CORP (JP) 2008-10-15 — — EP disclosed
US-7364891-B2 Mutated alkaline cellulase KAO CORPORATION (JP) 2008-04-29 — — US disclosed
US-20050287656-A1 Mutated alkaline cellulase KAO CORPORATION (JP) 2005-12-29 — — US disclosed
EP-1498476-A1 MUTATED ALKALINE CELLULASE Kao Corporation (JP) 2005-01-19 — — EP disclosed