Isoleucine

Isoleucine

SCHEMBL18613635

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

nearest known ligand 0.45

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 5/20 0.45
▸ SLC15A2 Q16348 1/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.42
▸ FOLH1 Q04609 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.37
▸ ERAP2 Q6P179 1/20 0.37
▸ ERAP1 Q9NZ08 1/20 0.37
▸ LNPEP Q9UIQ6 1/20 0.37

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 SCHEMBL20493995 1.00 CPB2 (0.45) CPB2SLC15A2SLC6A5FOLH1NOD1
Valine SCHEMBL20493565 0.89 SLC15A2 (0.47) CPB2SLC15A2SLC6A5FOLH1NOD1
Valine SCHEMBL18613837 0.89 SLC15A2 (0.47) CPB2SLC15A2SLC6A5FOLH1NOD1
SCHEMBL29429290 0.89 SLC15A2 (0.52) CPB2SLC15A2SLC6A5FOLH1NOD1
SCHEMBL10885110 0.85 CPB2 (0.52) CPB2SLC15A2SLC6A5FOLH1NOD1
SCHEMBL10885106 0.85 CPB2 (0.52) CPB2SLC15A2SLC6A5FOLH1NOD1
SCHEMBL29720824 0.84 CPB2 (0.49) CPB2SLC15A2SLC6A5FOLH1
SCHEMBL30155353 0.82 SLC15A2 (0.44) CPB2SLC15A2SLC6A5FOLH1NOD1
Leucine SCHEMBL20493630 0.82 ERAP2 (0.48) CPB2SLC15A2SLC6A5FOLH1NOD1
Leucine SCHEMBL18613476 0.82 ERAP2 (0.48) CPB2SLC15A2SLC6A5FOLH1NOD1

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
US-11589603-B2 Powdered nutritional product containing branched-chain amino acids and a sugar alcohol ABBOTT LABORATORIES (US) 2023-02-28 — — US disclosed
US-20180255818-A1 POWDERED NUTRITIONAL PRODUCT CONTAINING BRANCHED-CHAIN AMINO ACIDS AND A SUGAR ALCOHOL ABBOTT LABORATORIES 2018-09-13 — — US disclosed
WO-2017044601-A1 POWDERED NUTRITIONAL PRODUCT CONTAINING BRANCHED-CHAIN AMINO ACIDS AND A SUGAR ALCOHOL ABBOTT LABORATORIES (US) 2017-03-16 — — WO disclosed
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