Creatine

Creatine

SCHEMBL22772448

CN(CC(=O)O)C(=N)N.O=P(O)(O)O.[KH].[KH]

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA1AADRA1BADRA1DADRB1ADRB2ADRB3CYP11B1DPP4FGFR1FGFR2FGFR3FGFR4HRH1JAK1JAK2JAK3KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITNAOPRD1OPRK1OPRM1PPDGFRBPIK3CDSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASMOTYK2polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Creatine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MVD P53602 2/20 0.41
▸ NOS3 P29474 1/20 0.40
▸ NOS1 P29475 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ CA1 P00915 14/20 0.36
▸ CA2 P00918 14/20 0.36

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 SCHEMBL27189 0.98 MVD (0.42) MVDNOS3NOS1NOS2CA1
Creatine SCHEMBL10710660 0.98 MVD (0.42) MVDNOS3NOS1NOS2CA1
Creatine SCHEMBL2817384 0.98 MVD (0.42) MVDNOS3NOS1NOS2CA1
Creatine SCHEMBL4110519 0.98 MVD (0.42) MVDNOS3NOS1NOS2CA1
Creatine SCHEMBL15514026 0.98 MVD (0.42) MVDNOS3NOS1NOS2CA1
Creatine SCHEMBL4966668 0.98 MVD (0.42) MVDNOS3NOS1NOS2CA1
Creatine SCHEMBL28000876 0.98 MVD (0.42) MVDNOS3NOS1NOS2CA1
Creatine SCHEMBL21693688 0.96 MVD (0.45) MVDNOS3NOS1NOS2CA1
Creatine SCHEMBL21693685 0.96 MVD (0.41) MVDNOS3NOS1NOS2CA1
Creatine SCHEMBL21693673 0.96 MVD (0.41) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11279708-B2 Amidino- and amino-rocaglates as novel translation inhibitors and anticancer agents TRUSTEES OF BOSTON UNIVERSITY (US) 2022-03-22 — — US disclosed
WO-2020252173-A1 AMIDINO- AND AMINO-ROCAGLATES AS NOVEL TRANSLATION INHIBITORS AND ANTICANCER AGENTS TRUSTEES OF BOSTON UNIVERSITY (US) 2020-12-17 — — WO disclosed
US-20200392147-A1 AMIDINO- AND AMINO-ROCAGLATES AS NOVEL TRANSLATION INHIBITORS AND ANTICANCER AGENTS TRUSTEES OF BOSTON UNIVERSITY (US) 2020-12-17 — — US disclosed

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

For each of this compound's patents that has machine-readable text (2 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-20200392147-A1 AMIDINO- AND AMINO-ROCAGLATES AS NOVEL TRANSLATION INHIBITORS AND ANTICANCER AGENTS EIF2B3, EIF4EBP1, G3BP1 MVD 1007/4885NOS3 2783/4885NOS1 3531/4885
US-11279708-B2 Amidino- and amino-rocaglates as novel translation inhibitors and anticancer agents EIF2B3, EIF4EBP1, G3BP1 MVD 1007/4885NOS3 2783/4885NOS1 3531/4885

“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.

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