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Sugi Predict / Compounds / Fosfocreatine

Fosfocreatine

Fosfocreatine

SCHEMBL9075223

CN(CC(=O)O)C(=N)N.CN(CC(=O)O)C(=N)N.CN(CC(=O)O)C(N)=NP(=O)(O)O

nearest known ligand 0.39

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MVD P53602 1/20 0.39
▸ NOS3 P29474 1/20 0.34
▸ NOS1 P29475 1/20 0.34
▸ NOS2 P35228 1/20 0.34
▸ CA1 P00915 6/20 0.31
▸ CA2 P00918 6/20 0.31

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
Fosfocreatine SCHEMBL5248692 1.00 MVD (0.39) MVDNOS3NOS1NOS2CA1
Fosfocreatine SCHEMBL453327 0.98 MVD (0.38) MVDNOS3NOS1NOS2CA1
Fosfocreatine SCHEMBL24116748 0.92 MVD (0.44) MVD
Fosfocreatine SCHEMBL2124030 0.92 MVD (0.44) MVD
Fosfocreatine SCHEMBL65425 0.92 MVD (0.44) MVD
Fosfocreatine SCHEMBL2635002 0.90 MVD (0.42) MVD
Creatine SCHEMBL27189 0.84 MVD (0.42) MVDNOS3NOS1NOS2CA1
Creatine SCHEMBL10710660 0.84 MVD (0.42) MVDNOS3NOS1NOS2CA1
Creatine SCHEMBL4110519 0.84 MVD (0.42) MVDNOS3NOS1NOS2CA1
Creatine SCHEMBL2817384 0.84 MVD (0.42) MVDNOS3NOS1NOS2CA1

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-5496716-A FOR USE AS CALIBRATOR OR CONTROL REFERENCE IN IMMUNOASSAY; CONTAINS ONE ENZYME SUBSTRATE OR ANALOG AND ENZYME PRODUCT OR ANALOG COMBINED WITH ENZYME ABBOTT LABORATORIES (US) 1996-03-05 — — US disclosed
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