Magnesium

Magnesium

SCHEMBL9801770

N[C@@H](CO)C(=O)OP(=O)(O)O.N[C@@H](CO)C(=O)OP(=O)(O)O.[Mg]

nearest known ligand 0.41

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA4 P22748 1/20 0.41
▸ PEPD P12955 1/20 0.32
▸ PGD P52209 1/20 0.31
▸ SLC1A1 P43005 1/20 0.30
▸ ANPEP P15144 1/20 0.30
▸ ERAP2 Q6P179 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
SCHEMBL1804921 0.98 CA4 (0.42) CA4PEPDPGDSLC1A1ANPEP
SCHEMBL9802024 0.98 CA4 (0.42) CA4PEPDPGDSLC1A1ANPEP
Calcium SCHEMBL9802006 0.96 CA4 (0.41) CA4PEPDPGDSLC1A1ANPEP
SCHEMBL38659685 0.83 FDPS (0.35) CA4
SCHEMBL28017850 0.81 CA4 (0.39) CA4PEPDPGD
SCHEMBL2512686 0.78 PTGS1 (0.44) CA4PEPDPGDANPEPERAP2
SCHEMBL2512687 0.78 PTGS1 (0.44) CA4PEPDPGDANPEPERAP2
SCHEMBL5607331 0.78 CYP2D6 (0.33) —
SCHEMBL771739 0.77 CA4 (0.39) CA4PEPD
SCHEMBL771738 0.77 CA4 (0.39) CA4PEPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068228-A Nervous system disorders KOEHLER GERNOT (DE) 1991-11-26 — — US disclosed
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