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Lysine

Lysine

SCHEMBL17728299

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

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PPARDPTGS1PTGS2dacAdacBdacCftsImrcAmrcBmrdA

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

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.34
▸ ITGA2B P08514 1/20 0.34
▸ THRB P10828 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
Threonine SCHEMBL15972069 0.96 ITGB3 (0.35) ITGB3ITGA2BTHRB
Lysine SCHEMBL15972073 0.96 ITGB3 (0.36) ITGB3ITGA2BTHRB
Proline SCHEMBL15971882 0.91 ITGB3 (0.39) ITGB3ITGA2BTHRB
Lysine SCHEMBL15972445 0.89 THRB (0.35) ITGB3ITGA2BTHRB
Threonine SCHEMBL17728307 0.87 DPP4 (0.33) ITGB3ITGA2B
Threonine SCHEMBL15971910 0.86 DPP4 (0.34) ITGB3ITGA2B
Proline SCHEMBL17728304 0.83 SLC7A5 (0.38) ITGB3ITGA2B
Threonine SCHEMBL17728293 0.83 SLC7A5 (0.37) ITGB3ITGA2B
Threonine SCHEMBL9058511 0.81 SLC7A5 (0.36) ITGB3ITGA2B
SCHEMBL17728295 0.80 HTR2C (0.36) 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