Aspartame

Aspartame

SCHEMBL2099790

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O.N=C(N)NCCCC(N)C(=O)O.NCCCC[C@H](N)C(=O)O

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ACES1PR1S1PR4S1PR5

The experimentally established mechanism targets of Aspartame. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY4R P50391 7/20 0.57
▸ NPY1R P25929 5/20 0.57
▸ NPY2R P49146 4/20 0.47
▸ NPY5R Q15761 4/20 0.47
▸ HDAC3 O15379 1/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC2 Q92769 1/20 0.45
▸ HDAC10 Q969S8 1/20 0.45
▸ HDAC11 Q96DB2 1/20 0.45
▸ HDAC8 Q9BY41 1/20 0.45
▸ HDAC6 Q9UBN7 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ ANPEP P15144 1/20 0.44
▸ BIRC2 Q13490 1/20 0.44
▸ MMP2 P08253 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ THRB P10828 1/20 0.43

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
Aspartame SCHEMBL2099793 1.00 NPY4R (0.57) NPY4RNPY1RNPY2RNPY5RHDAC3
SCHEMBL13445658 0.84 NPY4R (0.58) NPY4RNPY1RNPY2RNPY5R
Arginine SCHEMBL16105142 0.82 MMP2 (0.48) NPY4RNPY1RNPY2RNPY5RANPEP
Arginine SCHEMBL20503185 0.82 MMP2 (0.48) NPY4RNPY1RNPY2RNPY5RANPEP
SCHEMBL30565144 0.82 NPY4R (0.59) NPY4RNPY1RNPY2RNPY5RMMP2
SCHEMBL30958098 0.82 NPY4R (0.59) NPY4RNPY1RNPY2RNPY5RMMP2
SCHEMBL30958097 0.82 NPY4R (0.59) NPY4RNPY1RNPY2RNPY5RMMP2
SCHEMBL30845381 0.82 NPY4R (0.59) NPY4RNPY1RNPY2RNPY5RMMP2
SCHEMBL29406322 0.82 NPY4R (0.59) NPY4RNPY1RNPY2RNPY5RMMP2
SCHEMBL29533534 0.81 NPY4R (0.54) NPY4RNPY1RNPY2RNPY5R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9585708-B2 Controlling coagulum formation MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-03-07 — — US disclosed
US-20160151105-A1 CONTROLLING COAGULUM FORMATION MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2016-06-02 — — US disclosed
US-9271786-B2 Controlling coagulum formation MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2016-03-01 — — US disclosed
EP-2053981-B1 COAGULUM FORMATION CONTROLLING APPARATUS MAYO FOUNDATION (US) 2015-11-18 — — EP disclosed
US-20140324040-A1 Controlling Coagulum Formation MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2014-10-30 — — US disclosed
US-8790338-B2 Controlling coagulum formation MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2014-07-29 — — US disclosed
US-8409192-B2 Controlling coagulum formation MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2013-04-02 — — US disclosed
US-20120150171-A1 Controlling Coagulum Formation MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2012-06-14 — — US disclosed
US-8162936-B2 — — 2012-04-24 — — US disclosed
US-20090187187-A1 Controlling Coagulum Formation MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2009-07-23 — — US disclosed
EP-2053981-A1 COAGULUM FORMATION CONTROLLING APPARATUS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2009-05-06 — — EP disclosed
WO-2008024714-A1 COAGULUM FORMATION CONTROLLING APPARATUS MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2008-02-28 — — WO disclosed
Send feedback