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Pentetic Acid

Pentetic Acid

SCHEMBL2800920

O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)[O-])CCN(CC(=O)[O-])CC(=O)[O-].[Tc+7].[Tc+7].[Tc+7].[Tc+7].[Tc+7]

nearest known ligand 0.73

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.73
▸ ALOX15 P16050 2/20 0.73
▸ MAPT P10636 1/20 0.73
▸ SMN1; SMN2 Q16637 1/20 0.73
▸ TDP1 Q9NUW8 2/20 0.52
▸ BLM P54132 2/20 0.52
▸ PMP22 Q01453 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ DRD1 P21728 1/20 0.52
▸ SLC6A2 P23975 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ ADRA1A P35348 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ SLC6A3 Q01959 1/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.52
▸ EYA2 O00167 1/20 0.48

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
Pentetic Acid SCHEMBL5351118 0.94 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Pentetic Acid SCHEMBL8765357 0.94 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
SCHEMBL5353046 0.94 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Pentetic Acid SCHEMBL1477452 0.94 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Pentetic Acid SCHEMBL5193980 0.94 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Pentetic Acid SCHEMBL16990444 0.94 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Pentetic Acid SCHEMBL5352521 0.94 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Pentetic Acid SCHEMBL1478010 0.94 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Pentetic Acid SCHEMBL2274186 0.94 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1
Pentetic Acid SCHEMBL9617479 0.94 KDM4E (0.73) KDM4EALOX15MAPTSMN1; SMN2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020036231-A1 DRUG MANAGEMENT METHOD FOR KIT FORMULATION REQUIRING DOSE ADJUSTMENT レジメンキット株式会社 2020-02-20 — — WO disclosed
US-20100215137-A1 Method and apparatus for producing radioisotope JAPAN ATOMIC ENERGY AGENCY (JP) 2010-08-26 — — US disclosed
US-4880989-A Shielding container for radioaerosol delivery apparatus MALLINCKRODT, INC. (US) 1989-11-14 — — US disclosed
US-4782828-A Radioaerosol delivery apparatus MALLINCKRODT, INC. (US) 1988-11-08 — — US disclosed
EP-0119864-B1 RADIOAEROSOL DELIVERY APPARATUS AND MANIFOLD THEREFOR MALLINCKRODT, INC. (US) 1988-10-26 — — EP disclosed
US-4529003-A Manifold SYNTEX, INC. (US) 1985-07-16 — — US disclosed
EP-0119864-A2 Radioaerosol delivery apparatus and manifold therefor MALLINCKRODT, INC. (US) 1984-09-26 — — EP disclosed