Results

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Compound	MeSH ID	Name	Tree number	UMLS ID	Score	Rank
[1] Untitled Original SMILES: CCC(C)C(C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC1=CNC=N1)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC2=CNC=N2)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NCC(=O)NC(CCCNC(=N)N)C(=O)O)N Prepared SMILES: CCC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)O)CCCNC(=N)N)C)CCC(=O)O)CC(=O)N)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(C)C)NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(C(CC)C)N)CO)CCC(=O)N)C)Cc1nc[nH]c1)C)C)Cc1nc[nH]c1)C)CCC(=O)O)C	D012640	CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...	C10.597.742; C23.888.592.742	C0036572	0.239612	1
	D007022	Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...	C14.907.514	C0020649	0.193824	2
	D006973	BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...	C14.907.489	C0020538	0.154753	3
	D009325	C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...	C23.888.821.712	C0027497	0.131488	4
	D056486	Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...	C06.552.100; C25.100.562; C25.723.260	C0860207	0.12763	5
	D010146	ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...	C23.888.592.612; F02.830.816.444; G11.561.790.444	C0001044	0.121543	6
	D014839	Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...	C23.888.821.937	C0042963	0.121296	7
	D004244	DIZZINESS; DIZZY; Dizziness; Dizzy; Lightheadedness	C23.888.592.763.237	C0012833	0.104863	8
	D005076	Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...	C17.800.257	C0015230	0.10408	9
	D005334	BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...	C23.888.119.344	C0015967	0.103579	10
	D009336	Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...	C23.550.717; G04.146.638	C0027540	0.102013	11
	D006261	Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...	C23.888.592.612.441	C0018681	0.100011	12
	D014581	HIVES; Hive; Hives; URTICARIA; Urticaria	C17.800.862.945; C20.543.480.904	C0042109	0.0966431	13
	D001919	BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmias	C14.280.067.319; C23.550.073.300	C0079035	0.0966119	14
	D011537	Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...	C17.800.685; C23.888.885.625	C0033774	0.0947327	15
	D006967	ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...	C20.543	C0020517	0.0823926	16
	D001247	ASTHENIA; Asthenia; asthenia; general body state finding asthenia	C23.888.089	C0004093	0.0810477	17
	D005221	FATIGUE; Fatigue	C23.888.369	C0015672	0.0810223	18
	D015746	ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...	C23.888.592.612.054; C23.888.821.030	C0000737	0.0807415	19
	D000647	AMNESIA; 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; F01.700.625	C0002622	0.0796578	20
	D013610	CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...	C14.280.067.845; C14.280.123.875; C23.550.073.845	C0039231	0.0771564	21
	D003221	CONFUSION; CONFUSIONAL STATE; Confused; Confusion; Confusion/Disorientation; Confusional state; Dazed; Dazed ...	C10.597.606.337; C23.888.592.604.339; F01.700.250	C0009676	0.0740957	22
	D006930	HYPERALGESIA; HYPERALGIA; Hyperalgesia; Hyperalgia; Hyperpathia; Increased sensitivity to painful stimulus; ...	C10.597.751.791.400; C23.888.592.763.770.400	C0020429	0.0737822	23
	D004890	Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...	C17.800.229; C23.888.885.328	C0041834	0.0735066	24
	D014202	Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...	C10.597.350.850; C23.888.592.350.850	C0040822	0.0729459	25
	D003643	DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...	C23.550.260	C0011065	0.0697162	26
	D064420	DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...	C25.100	C0013221	0.0695827	27
	D006945	Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...	C17.800.946.350	C0020458	0.0690624	28
	D011014	Lung inflamed; PNEUM; PNEUMONIA; Pneumonia; Pneumonia, NOS; Pneumonia, unspecified; Pneumonitis, ...	C08.381.677; C08.730.610	C0032285	0.0683945	29
	D007249	INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...	C23.550.470	C0021368	0.0680958	30
	D001007	ANXIETY; ANXIETY REACTION; Anxiety	F01.470.132	C0003467	0.0677338	31
	D001145	ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...	C14.280.067; C23.550.073	C0003811	0.0665317	32
	D002637	CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...	C23.888.592.612.233	C0008031	0.0664934	33
	D007674	Disease of kidney; Disorder of kidney; Disorder;kidney; Kidney Disease; Kidney ...	C12.777.419; C13.351.968.419	C0022658	0.0654766	34
	D058186	ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...	C12.777.419.780.050; C13.351.968.419.780.050	C0022660	0.0637792	35
	D001523	Disorder;psychological; Emotional or mental disease or syndrome; MENTAL ILLNESS; Mental ...	F03	C0004936	0.062684	36
	D013575	A faint; Attack(s);fainting; Blackout; FAINTING; FAINTING EPISODES; FAINTNESS; Faint; Fainted; ...	C10.597.606.358.800.600; C23.888.592.604.359.800.600	C0039070	0.0609577	37
	D000707	ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...	C20.543.480.099	C0002792	0.0598291	38
	D009203	AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...	C14.280.647.500; C14.907.585.500	C0027051	0.0589431	39
	D003371	C/O - cough; COUGH; COUGHING; Complaining of cough; Cough	C08.618.248; C23.888.852.293	C0010200	0.058635	40
	D007319	Disorders of initiating and maintaining sleep; Disorders of initiating and ...	C10.886.425.800.800; F03.870.400.800.800	C0021603	0.0574182	41
	D051437	ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...	C12.777.419.780; C13.351.968.419.780	C0035078	0.0572477	42
	D003872	DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...	C17.800.174	C0011603	0.0568785	43
	D004342	Allergic drug reaction; Allergic reaction caused by drug; Allergic reaction ...	C20.543.206; C25.100.468	C0013182	0.0563399	44
	D000077260	DROWSINESS; DROWSY; Drowsiness; Drowsiness, function; Drowsy; Mental status, drowsy; SLEEPY; ...	C23.888.900	C0013144	0.0561556	45
	D056687	Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...	E02.319.307.500	C1096117	0.0561466	46
	D014474	CONSCIOUSNESS LOSS; LOC - Loss of consciousness; LOSS OF CONSCIOUSNESS; ...	C10.597.606.358.800; C23.888.592.604.359.800	C0041657	0.0552185	47
	D003967	D - Diarrhea; D - Diarrhoea; DIARRHEA; DIARRHOEA; Diarrhea	C23.888.821.214	C0011991	0.054041	48
	D007035	Abnormally low body temperature; BODY TEMPERATURE DECREASED; BODY TEMPERATURE LOW; ...	C23.888.119.565	C0020672	0.0539812	49
	D013921	THROMBOCYTOPENIA; Thrombocytopaenia; Thrombocytopenia; Thrombocytopenia, NOS; Thrombocytopenia, unspecified; Thrombocytopenic disorder; thrombocytopaenia; ...	C15.378.140.855	C0040034	0.0531178	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
19515	2025-11-27 22:06:26	Adverse drug events (ADEs)	ADENet	Global drug-ADE association network (version 2021)	Morgan fingerprint, similar to FCFP_4 Download	k = 2, Top 50	Download

Results

[1] Untitled

Job Information