Isoleucine

Isoleucine

SCHEMBL6534831

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

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

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 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 12/20 0.34
DPP8 Q6V1X1 4/20 0.33
DPP9 Q86TI2 4/20 0.33
DPP7 Q9UHL4 3/20 0.33
FAP Q12884 2/20 0.33
REN P00797 1/20 0.33
PRCP P42785 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 SCHEMBL4614095 0.97 SLC7A5 (0.33) DPP4DPP8DPP9DPP7FAP
Isoleucine SCHEMBL27660748 0.95 DPP4 (0.37) DPP4DPP8DPP9DPP7FAP
Isoleucine SCHEMBL4405367 0.95 DPP4 (0.37) DPP4DPP8DPP9DPP7FAP
Isoleucine SCHEMBL2498263 0.95 DPP4 (0.37) DPP4DPP8DPP9DPP7FAP
Isoleucine SCHEMBL4406285 0.95 DPP4 (0.37) DPP4DPP8DPP9DPP7FAP
Isoleucine SCHEMBL4400807 0.95 DPP4 (0.37) DPP4DPP8DPP9DPP7FAP
Isoleucine SCHEMBL2493253 0.95 DPP4 (0.37) DPP4DPP8DPP9DPP7FAP
Isoleucine SCHEMBL2496259 0.95 DPP4 (0.37) DPP4DPP8DPP9DPP7FAP
Isoleucine SCHEMBL2492485 0.95 DPP4 (0.37) DPP4DPP8DPP9DPP7FAP
Isoleucine SCHEMBL6163458 0.95 DPP4 (0.37) DPP4DPP8DPP9DPP7FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064010-A4 PEPTIDE COMPOSITIONS AND FORMULATIONS AND USE OF SAME CONNECTIVE TISSUE IMAGINEERING (US) 2004-10-06 EP claimed
EP-1064010-A1 PEPTIDE COMPOSITIONS AND FORMULATIONS AND USE OF SAME Mrs, Llc (US) 2001-01-03 EP claimed
WO-1999045941-A1 PEPTIDE COMPOSITIONS AND FORMULATIONS AND USE OF SAME MRS, LLC (US) 1999-09-16 WO claimed