Threonine

Threonine

SCHEMBL285577

C[C@@H](O)[C@H](N)C(=O)O.C[C@H](N)C(=O)OC(=O)[C@@H](N)CCCNC(=N)N

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPY4R P50391 9/20 0.36
NPY1R P25929 6/20 0.36
OTC P00480 1/20 0.34
NPY2R P49146 4/20 0.33
NPY5R Q15761 4/20 0.33
DDAH1 O94760 2/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
DPP7 Q9UHL4 1/20 0.31
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 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
SCHEMBL1821005 0.90 NPY4R (0.40) NPY4RNPY1ROTCNPY2RNPY5R
SCHEMBL3898461 0.89 NPY4R (0.38) NPY4RNPY1ROTCNPY2RNPY5R
Threonine SCHEMBL1964086 0.89 FNTA (0.35) NPY4RNPY1RNPY2RNPY5R
Arginine SCHEMBL20996120 0.86 OTC (0.46) OTCDDAH1NOS1NOS3NOS2
Arginine SCHEMBL27842844 0.86 OTC (0.46) OTCDDAH1NOS1NOS3NOS2
Arginine SCHEMBL1965664 0.86 OTC (0.46) OTCDDAH1NOS1NOS3NOS2
Arginine SCHEMBL3898452 0.86 OTC (0.46) OTCDDAH1NOS1NOS3NOS2
Arginine SCHEMBL6164492 0.84 OTC (0.35) NPY4RNPY1ROTCNPY2RNPY5R
SCHEMBL30531669 0.83 NPY4R (0.41) NPY4RNPY1ROTCNPY2RNPY5R
SCHEMBL15653883 0.83 NPY4R (0.41) NPY4RNPY1ROTCNPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112851888-B Artificial intelligence nano channel material, preparation method thereof and application thereof in adenosine cyclophosphate detection 中国科学院大连化学物理研究所 2023-06-09 CN claimed
CN-112851888-A Artificial intelligent nano-channel material, preparation method thereof and application thereof in cyclic adenosine monophosphate detection 中国科学院大连化学物理研究所 2021-05-28 CN claimed
CN-112851888-B Artificial intelligence nano channel material, preparation method thereof and application thereof in adenosine cyclophosphate detection 中国科学院大连化学物理研究所 2023-06-09 CN disclosed
CN-112851888-A Artificial intelligent nano-channel material, preparation method thereof and application thereof in cyclic adenosine monophosphate detection 中国科学院大连化学物理研究所 2021-05-28 CN disclosed
CN-112851888-A Artificial intelligent nano-channel material, preparation method thereof and application thereof in cyclic adenosine monophosphate detection 中国科学院大连化学物理研究所 2021-05-28 CN disclosed
EP-2427487-A2 METHOD OF MODIFYING SERINE PROTEASE INHIBITORS Natural Environment Research Council (GB) 2012-03-14 EP disclosed
WO-2010128285-A2 METHOD OF MODIFYING SERINE PROTEASE INHIBITORS NATURAL ENVIRONMENT RESEARCH COUNCIL (GB) 2010-11-11 WO disclosed