Guanidine

Guanidine

SCHEMBL3748808

N=C(N)N.O=C(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1

nearest known ligand 0.67

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 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.67
PKM P14618 1/20 0.67
MAPT P10636 4/20 0.64
HGFAC Q04756 1/20 0.63
ALOX5 P09917 2/20 0.60
PARP10 Q53GL7 1/20 0.58
ALDH1A1 P00352 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
CES2 O00748 1/20 0.53
CES1 P23141 1/20 0.53
GAA P10253 2/20 0.51
HPGD P15428 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
NR1H4 Q96RI1 1/20 0.49

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
SCHEMBL527544 0.92 KMT2A (0.71) KMT2APKMMAPTHGFACALOX5
SCHEMBL9333093 0.88 KMT2A (0.66) KMT2APKMMAPTHGFACALOX5
P-Nitrophenol SCHEMBL7158777 0.87 KMT2A (0.64) KMT2APKMMAPTHGFACALOX5
SCHEMBL5973956 0.86 ALOX5 (0.73) KMT2APKMMAPTHGFACALOX5
SCHEMBL12649366 0.85 ALOX5 (0.68) KMT2APKMMAPTHGFACALOX5
SCHEMBL4951809 0.84 KMT2A (0.84) KMT2APKMMAPTHGFACALOX5
SCHEMBL18434657 0.84 KMT2A (0.84) KMT2APKMMAPTHGFACALOX5
SCHEMBL542043 0.84 KMT2A (0.84) KMT2APKMMAPTHGFACALOX5
SCHEMBL10636579 0.84 KMT2A (0.84) KMT2APKMMAPTHGFACALOX5
SCHEMBL6032592 0.84 KMT2A (0.68) KMT2APKMMAPTHGFACALOX5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838006-B2 Viral vaccine composition, process and methods of use IMMUNITOR USA INC. (US) 2010-11-23 US disclosed
US-20090226489-A1 VIRAL VACCINE COMPOSITION, PROCESS AND METHODS OF USE IMMUNITOR USA INC. (US) 2009-09-10 US disclosed
US-20030092145-A1 Viral vaccine composition, process, and methods of use IMMUNITOR USA INC. 2003-05-15 US disclosed
WO-2001054717-A1 VACCINE COMPOSITION, PROCESS AND METHODS JIRA VIC (US) 2001-08-02 WO disclosed
US-6020315-A Preparation having increased in vivo tolerability HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-01 US disclosed