Guanidine

Guanidine

SCHEMBL28136453

COC(=O)OC.N=C(N)N

nearest known ligand 0.39

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 3/20 0.39
CRBN Q96SW2 1/20 0.38
LMNA P02545 3/20 0.35
BLM P54132 2/20 0.35
PMP22 Q01453 2/20 0.35
ALOX15 P16050 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TAS2R38 P59533 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TSHR P16473 4/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
CA2 P00918 2/20 0.32
NFKB1 P19838 2/20 0.32
KDM4E B2RXH2 1/20 0.32
PTGS1 P23219 1/20 0.32
MMP12 P39900 1/20 0.32
CYP1A2 P05177 1/20 0.32
MAOA P21397 1/20 0.32

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
Urea SCHEMBL28723467 0.86 ALDH1A1 (0.46) ALDH1A1CRBNLMNABLMPMP22
Acetamide SCHEMBL28257765 0.83 LMNA (0.57) ALDH1A1CRBNLMNABLMPMP22
Methyl Carbamate SCHEMBL15688465 0.83 ALDH1A1 (0.41) ALDH1A1CRBNLMNABLMPMP22
Hydrazine SCHEMBL29112721 0.82
SCHEMBL20796 0.82
SCHEMBL4748477 0.82 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2CA14TSHRKEAP1
SCHEMBL4971363 0.82
Guanidine SCHEMBL28136455 0.80
SCHEMBL8549704 0.79
Guanidine SCHEMBL5360849 0.79 LMNA (0.46) ALDH1A1LMNABLMPMP22ALOX15

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
CN-104291328-B Method for grading and separating graphene materials 深圳粤网节能技术服务有限公司 2017-04-12 CN disclosed