Guanidine

Guanidine

SCHEMBL9752380

Cc1cccc(S(=O)(=O)O)c1O.N=C(N)N

nearest known ligand 0.45

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
ALDH1A1 P00352 2/20 0.45
TRPA1 O75762 1/20 0.41
TTR P02766 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PLG P00747 1/20 0.39
PLAU P00749 1/20 0.39
PLAT P00750 1/20 0.39
KLK1 P06870 1/20 0.39
KLK5 Q9Y337 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MYC P01106 1/20 0.39
CYP1A2 P05177 2/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37

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
SCHEMBL21084 0.91 ALDH1A1 (0.54) ALDH1A1TRPA1TTRGABRA1GABRB2
SCHEMBL28396990 0.89 ALDH1A1 (0.52) ALDH1A1TRPA1TTRGABRA1GABRB2
Ammonia Solution, Strong SCHEMBL7744383 0.89 ALDH1A1 (0.52) ALDH1A1TRPA1TTRGABRA1GABRB2
Water SCHEMBL3630768 0.89 ALDH1A1 (0.52) ALDH1A1TRPA1TTRGABRA1GABRB2
Hydrochloric Acid SCHEMBL9814070 0.89 ALDH1A1 (0.52) ALDH1A1TRPA1TTRGABRA1GABRB2
Formaldehyde SCHEMBL958921 0.87 ALDH1A1 (0.50) ALDH1A1TRPA1TTRGABRA1GABRB2
Ethylenediamine SCHEMBL18107074 0.86 ALDH1A1 (0.45) ALDH1A1TRPA1TTRGABRA1GABRB2
Guanidine SCHEMBL3281031 0.84 TTR (0.42) ALDH1A1TRPA1TTRF2PLAU
Guanidine SCHEMBL811269 0.83 MYC (0.46) ALDH1A1TTRF2KDM4EMYC
Pyridine SCHEMBL5570325 0.83 ALDH1A1 (0.42) ALDH1A1TRPA1TTRGABRA1GABRB2

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
WO-1991000329-A1 PROCESS FOR THE TREATMENT OF USED OIL GEUT AG GESELLSCHAFT FÜR ENERGIE- UND UMWELTTECHNIK (CH) 1991-01-10 WO disclosed