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CompoundMeSH IDNameTree numberUMLS IDScoreRank

[1] Untitled

Original SMILES:
C/1\2=C/C(CCN/C(=C\O)O)=C\C=C1\C=C\3/C(=C2)CNC3

Prepared SMILES:
O/C=C(\NCCc1ccc2c(c1)cc1c(c2)CNC1)/O

D014947Wound; Wound - morphology; Wound, NOS; Wounds; injuries wound; morphology ...C26C00432500.06415241
D012640CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...C10.597.742; C23.888.592.742C00365720.05850342
D014839Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...C23.888.821.937C00429630.05153363
D009325C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...C23.888.821.712C00274970.05061024
D006948BEHAVIOR HYPERACTIVE; HA - Hyperactivity; Hyperactive behavior; Hyperactive behaviour; Hyperactivity; ...C10.597.350.350; C23.888.592.350.350C04242950.04782535
D007022Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...C14.907.514C00206490.04473986
D006973BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...C14.907.489C00205380.04175677
D005076Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...C17.800.257C00152300.0409368
D010146ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...C23.888.592.612; F02.830.816.444; G11.561.790.444C00010440.04078529
D006261Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...C23.888.592.612.441C00186810.040299610
D004244DIZZINESS; DIZZY; Dizziness; Dizzy; LightheadednessC23.888.592.763.237C00128330.038066711
D005221FATIGUE; FatigueC23.888.369C00156720.035632712
D011537Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...C17.800.685; C23.888.885.625C00337740.034051913
D056486Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...C06.552.100; C25.100.562; C25.723.260C08602070.03386914
D013610CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...C14.280.067.845; C14.280.123.875; C23.550.073.845C00392310.033710315
D001919BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmiasC14.280.067.319; C23.550.073.300C00790350.033638416
D001247ASTHENIA; Asthenia; asthenia; general body state finding astheniaC23.888.089C00040930.033286117
D014202Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...C10.597.350.850; C23.888.592.350.850C00408220.032214118
D009336Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...C23.550.717; G04.146.638C00275400.02914219
D007319Disorders of initiating and maintaining sleep; Disorders of initiating and ...C10.886.425.800.800; F03.870.400.800.800C00216030.028313420
D004890Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...C17.800.229; C23.888.885.328C00418340.02691821
D003221CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...C10.597.606.337; C23.888.592.604.339; F01.700.250C00096760.026691522
D006967ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...C20.543C00205170.026082223
D014581HIVES; Hive; Hives; URTICARIA; UrticariaC17.800.862.945; C20.543.480.904C00421090.025716824
D015746ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...C23.888.592.612.054; C23.888.821.030C00007370.025277625
D013375Drug Withdrawal; Substance Withdrawal Syndrome; WITHDRAWAL SYNDROME; Withdrawal Syndrome; Withdrawal ...C25.775.835; F03.900.825C00385870.024718226
D001007ANXIETY; ANXIETY REACTION; AnxietyF01.470.132C00034670.024352727
D002637CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...C23.888.592.612.233C00080310.02386428
D009203AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...C14.280.647.500; C14.907.585.500C00270510.023728129
D001145ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...C14.280.067; C23.550.073C00038110.02362630
D004342Allergic drug reaction; Allergic reaction caused by drug; Allergic reaction ...C20.543.206; C25.100.468C00131820.0235231
D058186ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...C12.777.419.780.050; C13.351.968.419.780.050C00226600.023516132
D003643DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...C23.550.260C00110650.023392933
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; C23.888.592.608.750C00268210.023344534
D006945Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...C17.800.946.350C00204580.022891835
D007249INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...C23.550.470C00213680.022564936
D005334BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...C23.888.119.344C00159670.022083837
D064420DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...C25.100C00132210.021825238
D023341CHILL; CHILLS; Chill; Chills; ague; chill; chill shaking; chilling; chillsC23.888.208C00855930.020972939
D000077260DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...C23.888.900C00131440.020926640
D006333CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...C14.280.434C00188010.020861341
D003872DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...C17.800.174C00116030.020299542
D003371C/O - cough; COUGH; COUGHING; Complaining of cough; CoughC08.618.248; C23.888.852.293C00102000.020205743
D014474CONSCIOUSNESS LOSS; LOC - Loss of consciousness; LOSS OF CONSCIOUSNESS; ...C10.597.606.358.800; C23.888.592.604.359.800C00416570.020003844
D000707ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...C20.543.480.099C00027920.019901445
D002375Catalepsy; catalepsyC10.597.350.200; C23.888.592.350.200C00073700.019661346
D056687Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...E02.319.307.500C10961170.019486147
D004487Dropsy; Dropsy, NOS; EDEMA; EDEMA NOS; EDEMATOUS; EdemaC23.888.277C00136040.019120948
D000855ANOREXIA; Anorexia; anorectic; anorexiaC23.888.821.108C00031230.019099849
D009369CA; CA - Cancer; CANCER; Cancer; MALIGNANCY; MALIGNANT TUMOR; MalignancyC04C00068260.018939350

Job Information

Job IDSubmitted datePrediction typeMethodNetworkMolecular fingerprintOther parameter(s)Score matrix
196492025-12-05
02:42:11		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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