Didanosine

Didanosine

SCHEMBL8025110

O=P(O)(O)O.O=P(O)(O)O.O=P(O)(O)O.OC[C@@H]1CC[C@H](n2cnc3c(O)ncnc32)O1

nearest known ligand 0.58

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Known targets — ChEMBL curated mechanism

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The experimentally established mechanism targets of Didanosine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
LMNA P02545 1/20 0.58
ALB P02768 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP1A2 P05177 1/20 0.46
ABL1 P00519 2/20 0.44
RIN1 Q13671 2/20 0.44
ADA P00813 1/20 0.43
HIF1A Q16665 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
Didanosine SCHEMBL29387997 0.94 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL12150307 0.94 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL3364 0.94 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL1769151 0.94 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL9223571 0.93 ALDH1A1 (0.56) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL8709115 0.93 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL7910803 0.93 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL7910809 0.93 ALDH1A1 (0.60) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL6066346 0.92 ALDH1A1 (0.53) ALDH1A1LMNAALBMAPK1CYP1A2
Didanosine SCHEMBL7907423 0.92 ALDH1A1 (0.59) ALDH1A1LMNAALBMAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4861759-A Antiviral compositions and methods THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1989-08-29 US claimed
EP-0550646-B1 IMPROVED NUCLEIC ACID SEQUENCE ANALYSIS WITH NUCLEOSIDE-5'-0-(1-THIOTRIPHOSPHATES) PERKIN ELMER CORP (US) 2000-04-05 EP disclosed
US-5366860-A Spectrally resolvable rhodamine dyes for nucleic acid sequence determination APPLIED BIOSYSTEMS, INC. (US) 1994-11-22 US disclosed
EP-0550646-A4 IMPROVED NUCLEIC ACID SEQUENCE ANALYSIS WITH NUCLEOSIDE-5'-0-(1-THIOTRIPHOSPHATES) APPLIED BIOSYSTEMS (US) 1994-05-25 EP disclosed
EP-0550646-A1 IMPROVED NUCLEIC ACID SEQUENCE ANALYSIS WITH NUCLEOSIDE-5'-0-(1-THIOTRIPHOSPHATES) THE PERKIN-ELMER CORPORATION (US) 1993-07-14 EP disclosed
EP-0496749-A4 SPECTRALLY RESOLVABLE RHODAMINE DYES FOR NUCLEIC ACID SEQUENCE DETERMINATION 1993-06-16 EP disclosed
US-5187085-A NUCLEIC ACID SEQUENCE ANALYSIS WITH NUCLEOSIDE-5'-O-(1-THIOTRIPHOSPHATES) APPLIED BIOSYSTEMS, INC. (US) 1993-02-16 US disclosed
EP-0496749-A1 SPECTRALLY RESOLVABLE RHODAMINE DYES FOR NUCLEIC ACID SEQUENCE DETERMINATION. APPLIED BIOSYSTEMS (US) 1992-08-05 EP disclosed
WO-1992006219-A1 IMPROVED NUCLEIC ACID SEQUENCE ANALYSIS WITH NUCLEOSIDE-5'-0-(1-THIOTRIPHOSPHATES) APPLIED BIOSYSTEMS, INC. (US) 1992-04-16 WO disclosed
WO-1991005060-A2 SPECTRALLY RESOLVABLE RHODAMINE DYES FOR NUCLEIC ACID SEQUENCE DETERMINATION APPLIED BIOSYSTEMS, INC. (US) 1991-04-18 WO disclosed