Results

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Compound	MeSH ID	Name	Tree number	UMLS ID	Score	Rank
[1] Untitled Original SMILES: [H][C@]9(OC8[C@@H](C)O[C@@]([H])(O[C@]7([H])[C@@H](C)O[C@@]([H])(OC6CC[C@@]1(C)[C@]([H])(CC[C@]4([H])[C@]1([H])C[C@@H](O)[C@]5(C)C(c2cc(=O)oc2=Cc3cccc(OCCCC)c3)CC[C@]45O)C6)C[C@@H]7O)C[C@@H]8O)C[C@H](O)[C@H](O)[C@@H](C)O9 Prepared SMILES: CCCCOc1cccc(c1)C=C1OC(=O)C=C1C1CC[C@]2([C@]1(C)[C@H](O)C[C@H]1[C@H]2CC[C@H]2[C@]1(C)CCC(C2)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O[C@H]1C[C@H](O)C([C@H](O1)C)O[C@H]1C[C@H](O)[C@@H]([C@H](O1)C)O)O	D012640	CONVULSION; Convulsion; Convulsion, NOS; Convulsions; Epileptic seizure; Fit; Fit - ...	C10.597.742; C23.888.592.742	C0036572	0.142635	1
	D009325	C/O - nausea; Feeling bilious; Feeling queasy; Feeling sick; NAUSEA; ...	C23.888.821.712	C0027497	0.130741	2
	D010146	ACE - Acetylcholinesterase; ACHE - Acetylcholine esterase; Acetylcholine esterase; Acetylcholinesterase; ...	C23.888.592.612; F02.830.816.444; G11.561.790.444	C0001044	0.117663	3
	D056486	Drug Induced Liver Injury; Drug induced hepatotoxicity; Drug-induced disorder of ...	C06.552.100; C25.100.562; C25.723.260	C0860207	0.117252	4
	D006973	BP - High blood pressure; BP+ - Hypertension; Blood Pressure, ...	C14.907.489	C0020538	0.112915	5
	D014839	Being sick; EMESIS; Emesis; Finding of vomiting; Observation of vomiting; ...	C23.888.821.937	C0042963	0.109777	6
	D006261	Cephalalgia; Cephalgia; Cephalodynia; HA - Headache; HEAD ACHE; HEAD PAIN ...	C23.888.592.612.441	C0018681	0.0934044	7
	D005076	Breaking out - eruption; Cutaneous Eruption; Cutaneous eruption, NOS; Eruption; ...	C17.800.257	C0015230	0.0928256	8
	D004244	DIZZINESS; DIZZY; Dizziness; Dizzy; Lightheadedness	C23.888.592.763.237	C0012833	0.0927075	9
	D007022	Arterial hypotension; Arterial hypotension, NOS; BLOOD PRESSURE DECREASED; BLOOD PRESSURE ...	C14.907.514	C0020649	0.0890627	10
	D011537	Excessive scratching; ITCHING; Irritating sensation; Irritation - sensation; Itch; Itch ...	C17.800.685; C23.888.885.625	C0033774	0.0870855	11
	D001145	ARRHYTHMIA; Abnormal heart rhythms; Arrhythmia; Arrhythmia, NOS; Arrhythmias; Arrhythmias (Heart); ...	C14.280.067; C23.550.073	C0003811	0.0856113	12
	D009336	Cellular necrosis; Cellular necrosis, NOS; NECROSIS; Necrosis; Necrosis, NOS; Necrotic; ...	C23.550.717; G04.146.638	C0027540	0.0850579	13
	D001919	BRADYARRHYTHMIA; Bradyarrhythmia; bradyarrhythmia; bradyarrhythmias	C14.280.067.319; C23.550.073.300	C0079035	0.0810497	14
	D006967	ALLERGIC REACTION; ALLERGY; Allergic Disorders; Allergic Reaction; Allergic disorder; Allergic ...	C20.543	C0020517	0.0795156	15
	D014581	HIVES; Hive; Hives; URTICARIA; Urticaria	C17.800.862.945; C20.543.480.904	C0042109	0.0783335	16
	D004890	Cutaneous redness; Dermal erythema; ERYTHEMA; ERYTHEMA NOS; Erythema; Erythema - ...	C17.800.229; C23.888.885.328	C0041834	0.0749993	17
	D001247	ASTHENIA; Asthenia; asthenia; general body state finding asthenia	C23.888.089	C0004093	0.0742839	18
	D003643	DEAD; DEATH; DIED; Dead; Death; Death NOS; Died; EXPIRED; EXPIRED/DEATH; ...	C23.550.260	C0011065	0.0730489	19
	D007249	INFLAMMATION; Inflammation; Inflammation, NOS; Inflammatory reaction; Inflammatory reaction, NOS; inflammation; ...	C23.550.470	C0021368	0.072726	20
	D014202	Has a tremor; Involuntary shaking; Shakes; Shaking; Shaking all over; ...	C10.597.350.850; C23.888.592.350.850	C0040822	0.0713483	21
	D064420	DRUG TOXICITY; Drug Toxicity; Drug intoxication; Drug poisoning; Drug poisoning, ...	C25.100	C0013221	0.0709961	22
	D006333	CARDIAC FAILURE; CARDIAC INSUFFICIENCY; Cardiac Failure; Cardiac Insufficiency; Cardiac failure; ...	C14.280.434	C0018801	0.0709193	23
	D005221	FATIGUE; Fatigue	C23.888.369	C0015672	0.0697357	24
	D013610	CARDIAC ARRHYTHMIA, TACHYCARDIA; Fast heart rate; HEART RATE INCREASED; Heart ...	C14.280.067.845; C14.280.123.875; C23.550.073.845	C0039231	0.0681433	25
	D015746	ABDOMEN PAIN; ABDOMINAL PAIN; ABDOMINAL PAIN NOS; AP - Abdominal ...	C23.888.592.612.054; C23.888.821.030	C0000737	0.066664	26
	D002637	CHEST PAIN; Chest Pain; Chest pain; Chest pain nos; Chest ...	C23.888.592.612.233	C0008031	0.0647912	27
	D001007	ANXIETY; ANXIETY REACTION; Anxiety	F01.470.132	C0003467	0.0631067	28
	D000707	ANAPHYLAXIS; Allergic shock; Anaphylactic Reaction; Anaphylactic reaction; Anaphylactic shock; Anaphylactic ...	C20.543.480.099	C0002792	0.0627852	29
	D005334	BODY TEMPERATURE INCREASED; Body temperature above normal; Body temperature above ...	C23.888.119.344	C0015967	0.0601578	30
	D008508	Drug error; MEDICATION ERROR; Medication Error; Medication Errors; Medication error; ...	E02.319.529; N02.421.450.500	C0025115	0.0580933	31
	D003872	DERMATITIS; Dermatitis; Dermatitis, NOS; Dermatitis, unspecified; Inflammation Of Skin; Inflammation ...	C17.800.174	C0011603	0.0566691	32
	D007319	Disorders of initiating and maintaining sleep; Disorders of initiating and ...	C10.886.425.800.800; F03.870.400.800.800	C0021603	0.0566112	33
	D006945	Excessive sweating; HYPERHIDROSIS; HYPERHIDROSIS (SWEATS); Hyperhidrosis; Hyperhidrosis, unspecified; Hyperhydrosis; Hyperhydrosis ...	C17.800.946.350	C0020458	0.0565771	34
	D058186	ACUTE KIDNEY FAILURE; ACUTE RENAL FAILURE; ARF; ARF (acute renal ...	C12.777.419.780.050; C13.351.968.419.780.050	C0022660	0.0561171	35
	D051437	ESRD; Failure, Renal; Failure;renal;NOS; KIDNEY FAILURE; Kidney Failure; Kidney failure; ...	C12.777.419.780; C13.351.968.419.780	C0035078	0.0560344	36
	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	0.0556528	37
	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	0.0555669	38
	D006323	ASYSTOLE; Arrest, Cardiac; Asystole; CA - Cardiac arrest; CARDIAC ARREST; ...	C14.280.383	C0018790	0.0537445	39
	D003371	C/O - cough; COUGH; COUGHING; Complaining of cough; Cough	C08.618.248; C23.888.852.293	C0010200	0.0536102	40
	D001943	BREAST CANCER; BREAST CANCER NOS; Breast Cancer; Breast cancer; Breast--Cancer; ...	C04.588.180; C17.800.090.500	C0006142	0.0531977	41
	D009369	CA; CA - Cancer; CANCER; Cancer; MALIGNANCY; MALIGNANT TUMOR; Malignancy	C04	C0006826	0.0523778	42
	D007674	Disease of kidney; Disorder of kidney; Disorder;kidney; Kidney Disease; Kidney ...	C12.777.419; C13.351.968.419	C0022658	0.051736	43
	D056687	Off label use; Off-Label; Off-Label Treatment; Off-Label Use; label off ...	E02.319.307.500	C1096117	0.0515674	44
	D009203	AMI; Cardiac infarct; Cardiac infarction; Cardiac infarction, NOS; HEART ATTACK; ...	C14.280.647.500; C14.907.585.500	C0027051	0.0510156	45
	D003681	DEHYDRATION; Deficient fluid volume; Dehydrated; Dehydration	C18.452.950.179; C23.550.274	C0011175	0.0506787	46
	D012131	Insufficiency, Pulmonary; PR - Pulmonary regurgitation; PULMONARY INSUFFICIENCY; PULMONARY REGURGITATION; ...	C08.618.846; C14.280.484.660	C0034088	0.0504587	47
	D004342	Allergic drug reaction; Allergic reaction caused by drug; Allergic reaction ...	C20.543.206; C25.100.468	C0013182	0.0499834	48
	D020521	APOPLEXY, CEREBRAL; Apoplexy; Apoplexy, NOS; Brain attack; CEREBRAL VASCULAR ACCIDENT; ...	C10.228.140.300.775; C14.907.253.855	C0038454	0.0495078	49
	D011014	Lung inflamed; PNEUM; PNEUMONIA; Pneumonia; Pneumonia, NOS; Pneumonia, unspecified; Pneumonitis, ...	C08.381.677; C08.730.610	C0032285	0.0489468	50

Job Information

Job ID	Submitted date	Prediction type	Method	Network	Molecular fingerprint	Other parameter(s)	Score matrix
10219	2024-04-24 08:51:31	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