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CompoundMeSH IDNameTree numberUMLS IDScoreRank

[1] Untitled

Original SMILES:
COc1cccc2[nH]c(C(=O)N3CCc4[nH]c5c(Br)cccc5c4C3)cc12

Prepared SMILES:
COc1cccc2c1cc([nH]2)C(=O)N1CCc2c(C1)c1cccc(c1[nH]2)Br

D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.1213641
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.08673012
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.08434953
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.0817914
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.07862385
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.07727986
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.072757
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.06918228
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.06881959
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.068472410
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.06492611
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.063628112
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.059763213
D006561HERPES SIMPLEX; HERPES SIMPLEX INFECTION; HSV; HSV Infection; HSV infection; ...C02.256.466.382; C02.825.320; C17.800.838.790.320C00193480.059404714
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.057270715
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.056114116
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.055113817
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.053143918
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.053060119
D005221FATIGUE; FatigueC23.888.369C00156720.052654520
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.050737321
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.050163922
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.04957823
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.04949124
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.047136525
D014474CONSCIOUSNESS LOSS; LOC - Loss of consciousness; LOSS OF CONSCIOUSNESS; ...C10.597.606.358.800; C23.888.592.604.359.800C00416570.046411626
D003248CN - Constipation; CONSTIPATION; Constipated; ConstipationC23.888.821.150C00098060.045648727
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.045296528
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.044993229
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.044918430
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.044482431
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.044212332
D006948BEHAVIOR HYPERACTIVE; HA - Hyperactivity; Hyperactive behavior; Hyperactive behaviour; Hyperactivity; ...C10.597.350.350; C23.888.592.350.350C04242950.043192633
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.043123234
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.04293635
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.042355236
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; F01.700.625C00026220.04234237
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.040006638
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.03938439
D006212HALLUCINATION; HALLUCINATIONS; Hallucination; Hallucination, NOS; Hallucinations; Hallucinations, unspecified; hallucinate; hallucinated; ...C10.597.606.762.300; C23.888.592.604.764.300; F01.700.750.300C00185240.039128140
D002375Catalepsy; catalepsyC10.597.350.200; C23.888.592.350.200C00073700.038621841
D013035CRAMP; Cramp; Cramp in muscle; Cramp in muscle, NOS; Cramp(s); ...C05.651.475; C10.597.613.500; C23.888.592.608.500; C10.597.613.750; C23.888.592.608.750C00268210.03851942
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.037710143
D051437ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...C12.777.419.780; C13.351.968.419.780C00350780.037489344
D013575A faint; Attack(s);fainting; Blackout; FAINTING; FAINTING EPISODES; FAINTNESS; Faint; Fainted; ...C10.597.606.358.800.600; C23.888.592.604.359.800.600C00390700.03730345
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.037260546
D001416BACK PAIN; BACKACHE; BACKPAIN; Back Pain; Back ache; Back pain; ...C23.888.592.612.107C00046040.036497947
D003863DEPRESSION; Depression; Depression (Emotion); Depression, Mental; Depression, NOS; Depression, mental; ...F01.145.126.350C00115700.036028848
D000855ANOREXIA; Anorexia; anorectic; anorexiaC23.888.821.108C00031230.035681849
D004415DYSPEPSIA; Dyspepsia; Dyspepsia, NOS; Dyspepsia/indigestion; INDIGESTION; IndigestionC23.888.821.236C00133950.035510750

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
102702024-04-25
21:37:50		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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