Guanidine

Guanidine

SCHEMBL663602

C1CCC(N=C(NC2CCCCC2)N2CCCC2)CC1.N=C(N)N

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2

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

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.53
HTT P42858 1/20 0.45
POLB P06746 3/20 0.41
TSHR P16473 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
THPO P40225 1/20 0.37
PMP22 Q01453 1/20 0.37
F2 P00734 1/20 0.37
PKM P14618 1/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
EPHX2 P34913 2/20 0.34
EPHX1 P07099 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL24533163 0.92 SIGMAR1 (0.55) SIGMAR1HTTPOLBTSHRCYP3A4
SCHEMBL10086753 0.92 SIGMAR1 (0.55) SIGMAR1HTTPOLBTSHRCYP3A4
SCHEMBL663131 0.92 SIGMAR1 (0.55) SIGMAR1HTTPOLBTSHRCYP3A4
SCHEMBL34592 0.92 SIGMAR1 (0.55) SIGMAR1HTTPOLBTSHRCYP3A4
SCHEMBL34752 0.92 SIGMAR1 (0.55) SIGMAR1HTTPOLBTSHRCYP3A4
SCHEMBL14703713 0.81 SIGMAR1 (0.40) SIGMAR1HTTPOLBTSHRCYP3A4
SCHEMBL14703708 0.81 SIGMAR1 (0.40) SIGMAR1HTTPOLBTSHRCYP3A4
SCHEMBL14703680 0.81 SIGMAR1 (0.40) SIGMAR1HTTPOLBTSHRCYP3A4
SCHEMBL14703507 0.81 SIGMAR1 (0.40) SIGMAR1HTTPOLBTSHRCYP3A4
SCHEMBL14703512 0.81 SIGMAR1 (0.40) SIGMAR1HTTPOLBTSHRCYP3A4

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
US-8846851-B2 Methods of ring opening polymerization and catalysts therefor INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-09-30 US disclosed
US-8507640-B2 Methods of ring opening polymerization and catalysts therefor INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-08-13 US disclosed
US-20130158226-A1 METHODS OF RING OPENING POLYMERIZATION AND CATALYSTS THEREFOR INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2013-06-20 US disclosed
US-20120046437-A1 METHODS OF RING OPENING POLYMERIZATION AND CATALYSTS THEREFOR INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2012-02-23 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 (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-20120046437-A1 METHODS OF RING OPENING POLYMERIZATION AND CATALYSTS THEREFOR OGFOD1, PCNA, ODC1 SIGMAR1 843/4885HTT 1918/4885POLB 153/4885

“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.