Calcium

Calcium

SCHEMBL9751812

O=C(O)CN(CCO)CC(=O)O.[Ca]

nearest known ligand 0.68

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.68
EYA2 O00167 1/20 0.68
APP P05067 1/20 0.68
ACE P12821 1/20 0.68
ALOX15 P16050 3/20 0.65
TSHR P16473 3/20 0.65
BLM P54132 2/20 0.65
PMP22 Q01453 2/20 0.65
KDM4E B2RXH2 2/20 0.65
LMNA P02545 2/20 0.65
CYP2C19 P33261 2/20 0.65
CHRM2 P08172 1/20 0.65
ADRA2A P08913 1/20 0.65
DRD1 P21728 1/20 0.65
SLC6A2 P23975 1/20 0.65
SLC6A4 P31645 1/20 0.65
ADRA1A P35348 1/20 0.65
DRD3 P35462 1/20 0.65
SLC6A3 Q01959 1/20 0.65
HRH3 Q9Y5N1 1/20 0.65

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 SCHEMBL786773 1.00 TDP1 (0.68) TDP1EYA2APPACEALOX15
SCHEMBL80266 0.97 TDP1 (0.72) TDP1EYA2APPACEALOX15
Magnesium SCHEMBL10888571 0.94 TDP1 (0.68) TDP1EYA2APPACEALOX15
Edetic Acid SCHEMBL4015979 0.94 TDP1 (0.78) TDP1EYA2APPACEALOX15
Water SCHEMBL7849422 0.94 TDP1 (0.68) TDP1EYA2APPACEALOX15
Nitrilotriacetic Acid SCHEMBL6340131 0.94 TDP1 (0.68) TDP1EYA2APPACEALOX15
Magnesium SCHEMBL786544 0.94 TDP1 (0.68) TDP1EYA2APPACEALOX15
SCHEMBL9117036 0.94 TDP1 (0.68) TDP1EYA2APPACEALOX15
Water SCHEMBL7849425 0.94 TDP1 (0.68) TDP1EYA2APPACEALOX15
SCHEMBL10891587 0.94 TDP1 (0.68) TDP1EYA2APPACEALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0419556-A1 CONTROL FOR BLOOD GAS/CALCIUM ANALYSIS INSTRUMENTATION. BIONOSTICS INC (US) 1991-04-03 EP claimed
US-4945062-A Control for blood gas/calcium analysis instrumentation BIONOSTICS INCORPORATED (US) 1990-07-31 US claimed
WO-1989012827-A1 CONTROL FOR BLOOD GAS/CALCIUM ANALYSIS INSTRUMENTATION BIONOSTICS, INCORPORATED (US) 1989-12-28 WO claimed
US-4563405-A NONSTAINING, STORAGE STABLE KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1986-01-07 US disclosed