Job ID(s):

Results

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CompoundMeSH IDNameTree numberUMLS IDScoreRank

[1] Untitled

Original SMILES:
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O

Prepared SMILES:
OC[C@H]1O[C@@H](Oc2cc(O)c3c(c2)O[C@@H](CC3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O

D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.281545Known
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.208707Known
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.194932Known
D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.1814161
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.1637542
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.1599383
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.1561484
D007674Disease of kidney; Disorder of kidney; Disorder;kidney; Kidney Disease; Kidney ...C12.777.419; C13.351.968.419C00226580.156067Known
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.1519945
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.149536Known
D015431Decreased body weight; Decreased weight; Decreased;weight; Losing weight; Loss (of);weight; ...C23.888.144.243.963; G07.345.249.314.120.200.963C12624770.149117Known
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.1385456
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.1357797
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.135718
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.1319459
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.13115910
D004487Dropsy; Dropsy, NOS; EDEMA; EDEMA NOS; EDEMATOUS; EdemaC23.888.277C00136040.129229Known
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.12911911
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.1271312
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.11871213
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.11857614
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.1185515
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.11822816
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.117254Known
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.11402Known
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.11184217
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.1112618
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.110746Known
D005221FATIGUE; FatigueC23.888.369C00156720.10943319
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.1069720
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.10473721
D017449ACD - Allergic contact dermatitis; Allergic Contact Dermatitis; Allergic contact ...C17.800.174.255.100; C17.800.815.255.100; C20.543.418.150C01628200.103649Known
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.10310222
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.10286523
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.1018624
D011014Lung inflamed; PNEUM; PNEUMONIA; Pneumonia; Pneumonia, NOS; Pneumonia, unspecified; Pneumonitis, ...C08.381.677; C08.730.610C00322850.101313Known
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.10032825
D006529Enlarged liver; Enlarged;liver; HEPATOMEGALY; Hepatomegaly; LARGE LIVER; LIVER ENLARGEMENT; Large ...C06.552.416; C23.300.775.525C00192090.099880826
D011041Poisoning; Poisoning by; Poisoning syndrome; Poisoning, NOS; by poisoning; poisoning; ...C25.723C00323430.098652327
D005234FATTY LIVER; FATTY LIVER INFILTRATION; Fatty change of liver; Fatty ...C06.552.241C00156950.0973647Known
D009369CA; CA - Cancer; CANCER; Cancer; MALIGNANCY; MALIGNANT TUMOR; MalignancyC04C00068260.097289528
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.095789829
D001943BREAST CANCER; BREAST CANCER NOS; Breast Cancer; Breast cancer; Breast--Cancer; ...C04.588.180; C17.800.090.500C00061420.094591830
D004342Allergic drug reaction; Allergic reaction caused by drug; Allergic reaction ...C20.543.206; C25.100.468C00131820.093055231
D009361neoplasm invasivenessC04.697.645; C23.550.727.645C00276260.0928628Known
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.092218532
D006333CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...C14.280.434C00188010.091826633
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.091494734
D003872DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...C17.800.174C00116030.090251435
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.089888136
D009410Nerve degeneration; Neurodegeneration; Ongoing loss of nerve cells; degeneration nerves; ...C23.550.737C00277460.088872Known
D012131Insufficiency, Pulmonary; PR - Pulmonary regurgitation; PULMONARY INSUFFICIENCY; PULMONARY REGURGITATION; ...C08.618.846; C14.280.484.660C00340880.08804237
D000647AMNESIA; Amnesia; Amnesia, NOS; Dysmnesia; LOM - Loss of memory; ...C10.597.606.525.100; C23.888.592.604.529.100; F01.700.625.100; F03.615.200; C10.597.606.525; C23.888.592.604.529; F01.700.625C00026220.086497838
D007333Body fails to respond to insulin; Drug resistance to insulin; ...C18.452.394.968.500; G07.690.773.984.617C00216550.085451Known
D000855ANOREXIA; Anorexia; anorectic; anorexiaC23.888.821.108C00031230.084260339
D001416BACK PAIN; BACKACHE; BACKPAIN; Back Pain; Back ache; Back pain; ...C23.888.592.612.107C00046040.084028240
D014474CONSCIOUSNESS LOSS; LOC - Loss of consciousness; LOSS OF CONSCIOUSNESS; ...C10.597.606.358.800; C23.888.592.604.359.800C00416570.083865541
D018908PARALYSIS PARTIAL; PARESIS; Paresis; Paresis, NOS; muscle weakness; paralysis partial; ...C05.651.515; C10.597.613.593; C23.550.695; C23.888.592.608.593; C10.597.636; C23.888.592.643C00305520.083727642
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.083099843
D001249ASTHMA; Airway hyperreactivity; AsthmaC08.127.108; C08.381.495.108; C08.674.095; C20.543.480.680.095C00040960.082111944
D009422Disease;neurological; Disorder of Nervous System; Disorder of nervous system; NEUROLOGIC ...C10C00277650.081799745
D013575A faint; Attack(s);fainting; Blackout; FAINTING; FAINTING EPISODES; FAINTNESS; Faint; Fainted; ...C10.597.606.358.800.600; C23.888.592.604.359.800.600C00390700.080943146
D018771ARTHRALGIA; ARTHRALGIAS; Ache in joint; Arthralgia; Arthralgias; Arthrodynia; Articular pain; ...C05.550.091; C23.888.592.612.094; F02.830.816.444.350; G11.561.790.444.350C00038620.080162647
D006323ASYSTOLE; Arrest, Cardiac; Asystole; CA - Cardiac arrest; CARDIAC ARREST; ...C14.280.383C00187900.078902648
D003681DEHYDRATION; Deficient fluid volume; Dehydrated; DehydrationC18.452.950.179; C23.550.274C00111750.078702949
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.078638950
D006332CARDIOMEGALY; Cardiomegaly; Cor bovinum; Enlarged heart; HEART SIZE INCREASED; Heart ...C14.280.195; C23.300.775.250C00188000.077418Known
D005355Desmoplasia; FIBROSIS; Fibroplasia; Fibroplasia, NOS; Fibrosis; Fibrosis, NOS; Fibrous repair; ...C23.550.355C00160590.0774033Known
D020258Toxic Encephalopathies; Toxic encephalopathy; encephalopathy toxic; encephalopathy; toxic; toxic encephalopathy; ...C10.720; C25.723.705C01495040.0766259Known
D018487Dysfunction, Left Ventricular; Impaired left ventricular func; Impaired left ventricular ...C14.280.945.900C02426980.0729066Known
D011658Cirrhosis of lung; Cirrhosis of lung, NOS; Fibrosis of lung; ...C08.381.765C00340690.065303Known
D010024Bone rarefaction; OP - Osteoporosis; OSTEOPOROSIS; Osteoporosis; Osteoporosis, NOS; Osteoporosis, ...C05.116.198.579; C18.452.104.579C00294560.0650739Known
D001284ATROPHY; Atrophic; Atrophy; Atrophy, NOS; atrophic; atrophied; atrophies; atrophy; atrophyingC23.300.070C03336410.0643647Known
D066126Cardiac Toxicity; Cardiotoxicity; Toxicity, Cardiac; cardiac toxicity; cardiotoxicity; toxicity, cardiacC23.550.161; C25.100.389; C26.733.266; G01.750.748.500.266C08769940.062858Known
D055371ALI - Acute lung injury; Acute Lung Injury; Acute lung ...C08.381.520.500C02424880.0593563Known
D050171DYSLIPIDEMIA; Dyslipidaemia; Dyslipidemia; High blood cholesterol/triglycerides; dyslipidemia; dyslipidemiasC18.452.584.500C02423390.0590795Known
D012130respiratory hypersensitivityC08.674; C20.543.480.680C00352280.0567665Known
D001862Bone resorption; Bone resorption, NOS; Bone resorption, function; bone resorptionC05.116.264; G11.427.213.150C00059740.0454017Known
D002583CERVIX NEOPLASM; Cervical Neoplasm; Cervical Tumor; Cervical neoplasm; Cervical tumor; ...C04.588.945.418.948.850; C13.351.500.852.593.131; C13.351.500.852.762.850; C13.351.937.418.875.850C00078730.0397129Known
D005911Astrogliosis; Cerebral gliosis; Excess astrocytes in brain; Fibrillary gliosis; GLIOSIS; ...C23.550.369C00176390.0396111Known
D010998Inflammation of pleura; Inflammation of tissues lining lungs and chest; ...C08.528.735; C08.730.582C00322310.0390119Known
D058226Atheroma; Atheroma of artery; Atheroma of artery, NOS; Atheroma, NOS; ...C23.300.823C02649560.0359491Known
C537171paraquat lungC29314340.035832Known
D004678Cerebral softening; ENCEPHALOMALACIA; Encephalomalacia; cerebromalacia; encephalomalaciaC10.228.140.461C00140680.0252126Known
D005271FEMUR HEAD NECROSIS; femur head necrosisC05.116.852.175; C23.550.717.732.368C00158140.0166118Known

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
206742026-02-08
15:05:22
Adverse drug events (ADEs)ADENetGlobal drug-ADE association network (version 2021)Morgan fingerprint, similar to FCFP_4 Downloadk = 2, Top 50Download

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