Creatine

Creatine

SCHEMBL4137956

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
CA1 P00915 15/20 0.35
CA2 P00918 15/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 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 SCHEMBL8580872 0.89 NOS3 (0.41) NOS3NOS1NOS2CA1CA2
Creatine SCHEMBL31156412 0.86 NOS3 (0.44) NOS3NOS1NOS2CA1CA2
Creatine SCHEMBL4007614 0.86 NOS3 (0.46) NOS3NOS1NOS2CA1CA2
Creatine SCHEMBL30063981 0.86
Creatine SCHEMBL21567 0.86
Creatine SCHEMBL27979093 0.86 NOS3 (0.46) NOS3NOS1NOS2CA1CA2
Cadaverine Tartrate SCHEMBL1286961 0.85 NOS3 (0.47) NOS3NOS1NOS2CA1CA2
Creatine SCHEMBL5345184 0.84 NOS3 (0.42) NOS3NOS1NOS2CA1CA2
Creatine SCHEMBL4269042 0.84 NOS3 (0.44) NOS3NOS1NOS2CA1CA2
Creatine SCHEMBL21404054 0.84 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-20090137669-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS REGENTS OF THE UNIVERSITY OF NEBRASKA, BOARD OF 2009-05-28 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137669-A1 CREATINE ESTER ANTI-INFLAMMATORY COMPOUNDS AND FORMULATIONS CKMT1A; CKMT1B, CPT1B, CRAT NOS3 532/4885NOS1 572/4885NOS2 574/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.