Spermine

Spermine

SCHEMBL1740431

CCCCCCCCCCCCCCCCCCNCCCCCCCCCCCCCCCCCC.NCC(=O)O.NCCCNCCCCNCCCN

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D

The experimentally established mechanism targets of Spermine. 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
PAOX Q6QHF9 1/20 0.56
RELA Q04206 4/20 0.54
TSHR P16473 2/20 0.50
CA12 O43570 2/20 0.50
F13A1 P00488 2/20 0.50
CA2 P00918 2/20 0.50
CYP1A2 P05177 2/20 0.50
ALOX15 P16050 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
THPO P40225 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
ALDH1A1 P00352 1/20 0.50
MEN1 O00255 1/20 0.50
CYP2C19 P33261 1/20 0.50
CASP2 P42575 1/20 0.50

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
Spermine SCHEMBL27579248 1.00 PAOX (0.56) PAOXRELATSHRCA12F13A1
Glycine SCHEMBL27460334 0.94 TSHR (0.52) PAOXRELATSHRALOX15ALDH1A1
Glycine SCHEMBL27452821 0.92 TSHR (0.50) PAOXRELATSHRALOX15ALDH1A1
Acetic Acid SCHEMBL134140 0.90 PAOX (0.63) PAOXRELATSHRCA12F13A1
Dodecanoate SCHEMBL30380627 0.89 PAOX (0.62) PAOXTSHRALOX15ALDH1A1MEN1
Hexacosanoic Acid SCHEMBL30380127 0.89 PAOX (0.62) PAOXTSHRALOX15ALDH1A1MEN1
Arachidic Acid SCHEMBL30379954 0.89 PAOX (0.62) PAOXTSHRALOX15ALDH1A1MEN1
Octanoic Acid SCHEMBL30379986 0.89 PAOX (0.62) PAOXTSHRALOX15ALDH1A1MEN1
Stearic Acid SCHEMBL1667358 0.89 PAOX (0.62) PAOXTSHRALOX15ALDH1A1MEN1
Adipic Acid SCHEMBL28060751 0.89 PAOX (0.62) PAOXTSHRALOX15ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023099722-A1 NANOPARTICLES FOR RELEASE OF NUCLEIC ACIDS UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2023-06-08 WO disclosed
US-9572776-B2 Vectors including an anionic macromolecule and a cationic lipid for delivering small nucleic acids CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2017-02-21 US disclosed
US-20120093915-A1 VECTORS INCLUDING AN ANIONIC MACROMOLECULE AND A CATIONIC LIPID FOR DELIVERING SMALL NUCLEIC ACIDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-04-19 US disclosed
EP-2389158-A1 VECTORS INCLUDING AN ANIONIC MACROMOLECULE AND A CATIONIC LIPID FOR DELIVERING SMALL NUCLEIC ACIDS Centre National De La Recherche Scientifique CNRS (FR) 2011-11-30 EP disclosed
WO-2010084129-A1 VECTORS INCLUDING AN ANIONIC MACROMOLECULE AND A CATIONIC LIPID FOR DELIVERING SMALL NUCLEIC ACIDS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-07-29 WO disclosed