Guanidine

Guanidine

SCHEMBL9846366

N#Cc1ccc(C(=O)O)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 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
PARP15 Q460N3 1/20 0.53
PARP10 Q53GL7 1/20 0.53
PARP2 Q9UGN5 1/20 0.53
MAP4K4 O95819 1/20 0.50
GSK3B P49841 2/20 0.48
TP53 P04637 1/20 0.48
TSHR P16473 1/20 0.48
IDO1 P14902 2/20 0.46
TAS2R14 Q9NYV8 1/20 0.46
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AR P10275 1/20 0.43
HTT P42858 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
SRD5A2 P31213 1/20 0.43

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
SCHEMBL216706 0.89 CA2 (0.64) CA1CA2PARP15PARP10PARP2
Hydrochloric Acid SCHEMBL3184981 0.87 CA2 (0.61) CA1CA2PARP15PARP10PARP2
SCHEMBL27765473 0.87 CA2 (0.61) CA1CA2PARP15PARP10PARP2
SCHEMBL11453092 0.87 CA2 (0.61) CA1CA2PARP15PARP10PARP2
Ammonia Solution, Strong SCHEMBL22265084 0.87 CA2 (0.61) CA1CA2PARP15PARP10PARP2
SCHEMBL15347438 0.87 CA2 (0.61) CA1CA2PARP15PARP10PARP2
SCHEMBL28435413 0.87 CA2 (0.61) CA1CA2PARP15PARP10PARP2
SCHEMBL23037552 0.85 CA2 (0.59) CA1CA2PARP15PARP10PARP2
Aminobenzoic Acid SCHEMBL1649162 0.84 MAP4K4 (0.54) CA1CA2PARP15PARP10PARP2
SCHEMBL20764505 0.83 RARB (0.58) CA1CA2PARP15PARP10PARP2

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
EP-0456093-A2 Biguanide derivatives and biocidal compositions containing them H.B. FULLER LICENSING & FINANCING, INC. (US) 1991-11-13 EP disclosed