Calcium

Calcium

SCHEMBL6388129

Cc1c(O)cccc1C(C)C.Cc1c(O)cccc1C(C)C.[Ca].[Ca]

nearest known ligand 0.60

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.60
GABRB2 P47870 3/20 0.60
LMNA P02545 4/20 0.56
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
HPGD P15428 3/20 0.56
CYP3A4 P08684 3/20 0.56
GABRG2 P18507 2/20 0.56
GABRB3 P28472 2/20 0.56
TSHR P16473 2/20 0.56
SLC6A2 P23975 2/20 0.56
HTR2B P41595 2/20 0.56
CYP1A2 P05177 2/20 0.56
HIF1A Q16665 2/20 0.56
FAAH O00519 1/20 0.56
GABRB1 P18505 1/20 0.56
PTGS1 P23219 1/20 0.56
HTR2C P28335 1/20 0.56
GABRA5 P31644 1/20 0.56
GABRA3 P34903 1/20 0.56

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
Calcium SCHEMBL1668336 1.00 GABRA1 (0.60) GABRA1GABRB2LMNACA1CA2
SCHEMBL30345312 0.98 GABRA1 (0.62) GABRA1GABRB2LMNACA1CA2
SCHEMBL36322 0.98 GABRA1 (0.62) GABRA1GABRB2LMNACA1CA2
SCHEMBL7022363 0.95 GABRA1 (0.60) GABRA1GABRB2LMNACA1CA2
SCHEMBL7023118 0.95 GABRA1 (0.60) GABRA1GABRB2LMNACA1CA2
SCHEMBL7023121 0.95 GABRA1 (0.60) GABRA1GABRB2LMNACA1CA2
Potassium SCHEMBL7022359 0.95 GABRA1 (0.60) GABRA1GABRB2LMNACA1CA2
Acetic Acid SCHEMBL3429078 0.88 GABRA1 (0.52) GABRA1GABRB2LMNACA1CA2
Thymol SCHEMBL15210145 0.83 LMNA (0.72) GABRA1GABRB2LMNACA1CA2
Carvacrol SCHEMBL15210225 0.80 TRPA1 (0.68) GABRA1GABRB2LMNACA1CA2

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-1480527-A4 COMPOSITIONS AND METHODS FOR INCREASING MILK PRODUCTION IN ANIMALS BEEK GLOBAL NINKOV L L C VAN (US) 2005-03-30 EP disclosed
EP-1480527-A2 COMPOSITIONS AND METHODS FOR INCREASING MILK PRODUCTION IN ANIMALS Van Beek Global/Ninkov L.L.C. (US) 2004-12-01 EP disclosed
WO-2003068158-A2 COMPOSITIONS AND METHODS FOR INCREASING MILK PRODUCTION IN ANIMALS VAN BEEK GLOBAL/NINKOV L.L.C. (US) 2003-08-21 WO disclosed