Threonine

Threonine

SCHEMBL17728293

C[C@@H](O)[C@H](N)C(=O)O.N[C@@H](Cc1ccc(OC(=O)[C@@H]2CCCN2)cc1)C(=O)O.O=C(O)[C@@H]1CCCN1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

SLC5A2

The experimentally established mechanism targets of Threonine. 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
SLC7A5 Q01650 3/20 0.37
PTPN1 P18031 1/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
TPH1 P17752 3/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 1/20 0.36
DPP4 P27487 2/20 0.35
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
CTSC P53634 2/20 0.35
PTGS1 P23219 2/20 0.34
ALPI P09923 1/20 0.34
PKM P14618 1/20 0.34
XIAP P98170 1/20 0.34
CYP3A4 P08684 3/20 0.33
ALDH1A1 P00352 2/20 0.33
ALOX15 P16050 2/20 0.33

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
Threonine SCHEMBL15971910 0.93 DPP4 (0.34) SLC7A5PTPN1ITGB3ITGA2BTPH1
Proline SCHEMBL17728310 0.92 PTPN1 (0.43) SLC7A5PTPN1ITGB3ITGA2BTPH1
SCHEMBL4542258 0.89 PTPN1 (0.45) SLC7A5PTPN1ITGB3ITGA2BTPH1
Threonine SCHEMBL9058511 0.88 SLC7A5 (0.36) SLC7A5PTPN1ITGB3ITGA2BTPH1
Tyrosine SCHEMBL12497090 0.87 SLC7A5 (0.51) SLC7A5DPP4CTSCPTGS1ALPI
Tyrosine SCHEMBL12497096 0.87 SLC7A5 (0.51) SLC7A5DPP4CTSCPTGS1ALPI
Tyrosine SCHEMBL17728294 0.87 SLC7A5 (0.51) SLC7A5DPP4CTSCPTGS1ALPI
Dl-Phenylalanine SCHEMBL27660741 0.87 SLC7A5 (0.49) SLC7A5HTR2CHTR2BDPP4FAP
Threonine SCHEMBL17728307 0.87 DPP4 (0.33) SLC7A5PTPN1ITGB3ITGA2BTPH1
Threonine SCHEMBL15972069 0.84 ITGB3 (0.35) ITGB3ITGA2B

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-2958971-B1 MULTI COMPONENT ADHESIVE FOR THE PREPARATION OF ADHESIVE HYDROGELS FRAUNHOFER GES FORSCHUNG (DE) 2018-07-11 EP claimed
US-20160130484-A1 MULTI-COMPONENT ADHESIVE FOR PRODUCING AN ADHESIVE HYDROGEL Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2016-05-12 US claimed
US-20160130484-A1 MULTI-COMPONENT ADHESIVE FOR PRODUCING AN ADHESIVE HYDROGEL Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2016-05-12 US disclosed