Guanidine

Guanidine

SCHEMBL5348313

CC(C(=O)O)c1ccc(Cl)cc1.N=C(N)N

nearest known ligand 0.52

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 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.52
PTGS1 P23219 5/20 0.49
CYP2C9 P11712 3/20 0.49
LMNA P02545 2/20 0.49
AKR1C3 P42330 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
ALB P02768 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX5 P09917 1/20 0.49
RARB P10826 1/20 0.49
ADRB3 P13945 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2A P28223 1/20 0.49
NR1I3 Q14994 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
CXCL8 P10145 1/20 0.49
TSHR P16473 1/20 0.49
AKR1C2 P52895 1/20 0.49
BLM P54132 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
SCHEMBL121108 0.90 PTGS2 (0.61) PTGS2PTGS1CYP2C9LMNAAKR1C3
SCHEMBL598280 0.90 PTGS2 (0.61) PTGS2PTGS1CYP2C9LMNAAKR1C3
SCHEMBL1590331 0.90 PTGS2 (0.61) PTGS2PTGS1CYP2C9LMNAAKR1C3
Hydrochloric Acid SCHEMBL5846545 0.88 PTGS2 (0.59) PTGS2PTGS1CYP2C9LMNAAKR1C3
SCHEMBL11884258 0.85 PTGS2 (0.71) PTGS2PTGS1CYP2C9LMNAAKR1C3
Guanidine SCHEMBL5344605 0.82 PTGS2 (0.62) PTGS2PTGS1CYP2C9LMNAAKR1C3
SCHEMBL7794207 0.80 EPHX1 (0.58) CYP2C9LMNANFKB1TSHRBLM
SCHEMBL607802 0.80 EPHX1 (0.58) CYP2C9LMNANFKB1TSHRBLM
SCHEMBL607803 0.80 EPHX1 (0.58) CYP2C9LMNANFKB1TSHRBLM
SCHEMBL11568894 0.80 PTGS2 (0.50) PTGS2PTGS1CYP2C9LMNAAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7204588-B2 Ink jet printed matter KONICA CORPORATION (JP) 2007-04-17 US disclosed
US-20030202082-A1 Ink jet printed matter KONICA CORPORATION (JP) 2003-10-30 US disclosed