Agmatine

Agmatine

SCHEMBL28633729

N=C(N)NCCCCN.O=P(O)(O)OP(=O)(O)O

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PAOX Q6QHF9 2/20 0.40
BLM P54132 3/20 0.36
FDPS P14324 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
DDAH1 O94760 2/20 0.33

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
Agmatine SCHEMBL28651766 0.89 ALOX15 (0.46) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Agmatine SCHEMBL4417794 0.89 ALOX15 (0.46) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Phosphoric Acid SCHEMBL28436026 0.83 ALOX15 (0.43) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Agmatine SCHEMBL30819275 0.82
Agmatine SCHEMBL19647 0.82
Agmatine SCHEMBL8579204 0.82 CYP1A2 (0.54) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Agmatine SCHEMBL5665180 0.82 CYP1A2 (0.54) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Agmatine SCHEMBL27692425 0.81 PAOX (0.54) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
Agmatine SCHEMBL23364117 0.80 CYP1A2 (0.52) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2
SCHEMBL433609 0.80 CYP1A2 (0.57) ALOX15MEN1CYP1A2KMT2ASMN1; SMN2

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-113423877-A Mutant tRNAs for codon expansion 中外制药株式会社 2021-09-21 CN disclosed