AgeXtend

Finding the Anti-Aging Potential of chemical compounds

Analysis Report

Query:

Qrys

SMILE sanity check:

HMDB Database search:

========================================================================

Prediction : Explainability : Toxicity Modules

 MRTD: CONCENTRATION mg/day

========================================================================

Druggability Module

H-Donors

H-Acceptors

Mol. Wt.

LogP

Status

LHDLHD

LHALHA

LMWLMW

LLPLLP

LSTPass

========================================================================

Target Module

Top Hits

BindingDB Ligand Name

Tanimoto Similarity

Target Name

Target Source Organism

Rank1

Rank1_Lname

Rank1_TS

Rank1_Tname

Rank1_Sname

Rank2

Rank2_Lname

Rank2_TS

Rank2_Tname

Rank2_Sname

Rank3

Rank3_Lname

Rank3_TS

Rank3_Lname

Rank3_Sname

========================================================================

Sub Mechanistic Level Explainability

Sub HallMark Level

Compound SMILE

Tanimoto Similarity

AIC_EA_SIRT_activator

SMA

TMA

AIC_NFkB_inhibitor

SMB

TMB

AIC_NLRP3_inhibitor

SMC

TMC

CS_HSP90_inhibitor

SMD

TMD

CS_Kinase_inhibitor

SME

TME

CS_Senolytic

SMF

TMF

DNS_Caloric_restriction_mimetic

SMG

TMG

DNS_mTOR_inhibitor

SMH

TMH

EA_Antagonist_for_HDAC_inhibitor

SM6

TM6

GI_CD38_inhibitor

SMJ

TMJ

GI_farnesyltranserase_inhibitor

SMK

TMK

LP_HSP70_activator

SML

TML

LP_HSR_activator

SMM

TMM

LP_Macroautophagy_inducer

SMN

TMN

MD_PINK1/Parkin_mitophagy_pathway_activator

SMO

TMO

MD_mitochondrial_dysfunction_protector/VDAC1_inhibitor

SMP

TMP

MD_mitochondrial_permeability_transition_pore_inhibitor

SMQ

TMQ

MD_mitophagy_inducer

SMR

TMR

SCE_JAK1_inhibitor

SMS

TMS

SCE_JAK3_inhibitor

SMT

TMT

SCE_Rho-associated_kinase_inhibitor_(anti-apoptosis)

SMU

TMU

SCE_Stem_cell_proliferators

SMV

TMV

SCE_prevents_stem_cell_differentiation

SMW

TMW

SCE_promote_stem_cell_reprogramming

SMX

TMX

SCE_self_renewal_of_stemcells

SMY

TMY

SCE_self_renewal_of_stemcells/Stem_cell_proliferation

SMZ

TMZ

TA_Activators_of_telomere_damage_signalling

SM1

TM1

TA_Telomerase_activator

SM2

TM2

TA_anti_telomere_shortening/preserving_telomere_length

SM3

TM3

TA_blocks_telomere_shortening

SM4

TM4

TA_derepresses_hTERT_expression

SM5

TM5