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Creatine

Creatine

SCHEMBL8468423

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

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.43
▸ NOS1 P29475 1/20 0.43
▸ NOS2 P35228 1/20 0.43
▸ CA1 P00915 13/20 0.38
▸ CA2 P00918 13/20 0.38
▸ LMNA P02545 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ PMP22 Q01453 1/20 0.36
▸ MVD P53602 1/20 0.33
▸ EYA2 O00167 1/20 0.33
▸ APP P05067 1/20 0.33
▸ ACE P12821 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
Creatine SCHEMBL27865596 0.95 NOS3 (0.43) NOS3NOS1NOS2CA1CA2
Creatine SCHEMBL346039 0.95 NOS3 (0.43) NOS3NOS1NOS2CA1CA2
Creatine SCHEMBL30063981 0.95 — —
Creatine SCHEMBL27979093 0.95 NOS3 (0.46) NOS3NOS1NOS2CA1CA2
Creatine SCHEMBL21567 0.95 — —
Creatine SCHEMBL4007614 0.95 NOS3 (0.46) NOS3NOS1NOS2CA1CA2
Creatine SCHEMBL15322261 0.94 NOS3 (0.40) NOS3NOS1NOS2CA1CA2
Creatine SCHEMBL5326455 0.93 NOS3 (0.44) NOS3NOS1NOS2CA1CA2
Creatine SCHEMBL21404054 0.93 NOS3 (0.44) NOS3NOS1NOS2CA1CA2
Creatine SCHEMBL20497169 0.93 NOS3 (0.44) NOS3NOS1NOS2CA1CA2

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-5886040-A Creatine pyruvate salt with enhanced palatability AMT LABS, INC. (US) 1999-03-23 — — US disclosed