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CompoundMeSH IDNameTree numberUMLS IDScoreRank

[1] Untitled

Original SMILES:
COc1c(C=CC(c2ccc(OC(C)C)c(C/C=C(C)\C)c2)=O)ccc(OC(C)C)c1OC(C)C

Prepared SMILES:
COc1c(C=CC(=O)c2ccc(c(c2)CC=C(C)C)OC(C)C)ccc(c1OC(C)C)OC(C)C

D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.08343031
D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.07424992
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.06496023
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.06272144
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.06216745
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.06094066
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.05650317
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.05563558
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.05145799
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.051049510
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.050985411
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.048724212
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.045924113
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.044869914
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.043998915
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.041998616
D001943BREAST CANCER; BREAST CANCER NOS; Breast Cancer; Breast cancer; Breast--Cancer; ...C04.588.180; C17.800.090.500C00061420.041326317
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.04054518
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.04045719
D009361neoplasm invasivenessC04.697.645; C23.550.727.645C00276260.04012420
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.040000421
D004487Dropsy; Dropsy, NOS; EDEMA; EDEMA NOS; EDEMATOUS; EdemaC23.888.277C00136040.039613122
D005221FATIGUE; FatigueC23.888.369C00156720.038930623
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.037653924
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.037348425
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.03626326
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.035884327
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.035094228
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.033962829
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.033944330
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.03276831
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.032754532
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.031727433
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.031720534
D006948BEHAVIOR HYPERACTIVE; HA - Hyperactivity; Hyperactive behavior; Hyperactive behaviour; Hyperactivity; ...C10.597.350.350; C23.888.592.350.350C04242950.031498435
D008114liver neoplasms, experimentalC04.588.274.623.460; C04.619.540; C06.301.623.460; C06.552.697.580; E05.598.500.496.750C00239040.030719736
D006930HYPERALGESIA; HYPERALGIA; Hyperalgesia; Hyperalgia; Hyperpathia; Increased sensitivity to painful stimulus; ...C10.597.751.791.400; C23.888.592.763.770.400C00204290.030642837
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.030467238
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; F01.700.625C00026220.030096839
D009369CA; CA - Cancer; CANCER; Cancer; MALIGNANCY; MALIGNANT TUMOR; MalignancyC04C00068260.030025940
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.029936541
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.029578442
D006333CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...C14.280.434C00188010.029338543
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.028671344
D006529Enlarged liver; Enlarged;liver; HEPATOMEGALY; Hepatomegaly; LARGE LIVER; LIVER ENLARGEMENT; Large ...C06.552.416; C23.300.775.525C00192090.028197745
D015431Decreased body weight; Decreased weight; Decreased;weight; Losing weight; Loss (of);weight; ...C23.888.144.243.963; G07.345.249.314.120.200.963C12624770.028003646
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.027898647
D014474CONSCIOUSNESS LOSS; LOC - Loss of consciousness; LOSS OF CONSCIOUSNESS; ...C10.597.606.358.800; C23.888.592.604.359.800C00416570.027776548
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.027049949
D003248CN - Constipation; CONSTIPATION; Constipated; ConstipationC23.888.821.150C00098060.026978750

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
186562025-10-22
12:33:23		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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