Table 1. Drugs with No Binding Data in ChEMBL, Predicted by SEA or MaxTc, Corroborated by the Literature.

drug(ref)	ZINC ID	target	pSEA	MaxTc
Acemetacin63	601272	PTGS2	40	0.76
Afeletecan64	150339966	TOP1	69	0.41
Alclometasone65	4172330	NR3C1	15	0.58
Alminoprofen66	22	PTGS2		0.47
Amisulpride67	1846088	DRD3	22	0.66
Ancarolol68	39	ADRB2	42	0.44
		ADRB1	59	0.43
		ADRB3	29	0.44
Aranidipine53	600803	CACNA1C	121	0.75
		CACNA1D	132	0.51
Azasetron69	4132	HTR3A	25	0.61
Azelnidipine70	38141706	CACNA1C	91	0.56
		CACNA1D	124	0.57
Azetirelin71	3804057	TRHR	95	0.59
		TRHR2		0.61
Besifloxacin72	3787097	PARC		0.46
Bevantolol73	1542891	ADRB1	89	0.51
		ADRB2	73	0.58
		ADRB3	73	0.53
Bilastine74	3822702	HRH1	48	0.51
Binospirone75	1999423	HTR1A		0.48
Bufetolol52	101	ADRB1	51	0.44
		ADRB2	47	0.46
Bunazosin76	601249	ADRA1B	52	0.61
Bupranolol77	106	ADRB2	45	0.44
		ADRB1	19	0.45
Butofilolol78	112	ADRB1	50	0.40
		ADRB2	34	0.46
Calcifediol79	12484926	VDRA		0.79
		GC		0.79
Camazepam80	2008504	GABARA5	25	0.53
		GABARA2	15	0.53
Cellcept81	21297660	IMPDH1		0.70
		IMPDH2		0.70
Ciprokiren82	8214528	REN	178	0.68
Dasotraline83	2510873	SLC6A3	25	0.63
		SLC6A2	29	0.63
Demecarium84	3875376	ACHE		0.71
Dienesterol85	4742540	ESR1	26	0.46
		ESR2	15	0.46
Edaglitazone86	1483899	PPARG	83	0.66
		PPARA	83	0.65
Efonidipine87	38139973	CACNA1C	81	0.51
		CACNA1D	118	0.51
Eptazocine88	1846076	OPRD1	30	0.42
		OPRK1	30	0.46
		OPRM1	32	0.46
Etanterol89	263	ADRB1	23	0.47
		ADRB2	47	0.40
Ethylmorphine90	3629718	OPRD1	28	0.62
		OPRK1	24	0.62
		OPRM1	32	0.75
		OPRL1		0.57
Etomoxir91	1851171	CPT1		0.47
Fiduxosin92	29747110	ADRA1A	30	0.53
		ADRA1B	45	0.53
		ADRA1D	38	0.46
Floxacillin93	4102187	BLAACC-4		0.80
Flurazepam94	537752	GABARA5	28	0.50
		GABARA1	17	0.49
Granisetron95	347	HTR3A	25	0.75
Halobetasol96	4214603	NR3C2	20	0.60
Hexoprenaline97	3872806	ADRB2	77	0.52
Ketobemidone98	1600	OPRD1	49	0.46
		OPRK1	45	0.48
		OPRM1	44	0.55
Lercanidipine99	19685790	CACNA1B		0.49
		CACNA1C	107	0.70
		CACNA1D	146	0.63
Lexacalcitol100	4474609	VDR	144	0.62
Meptazinol101	854	OPRD1	44	0.48
		OPRK1	39	0.60
		OPRM1	38	0.55
Metipranolol102	494	ADRB1	27	0.45
		ADRB2	31	0.52
Ormeloxifene103	5104028	ESR1	86	0.51
		ESR2	58	0.44
Paroxypropione104	1890	ESR1	38	0.58
		ESR2	30	0.58
Pipenzolate105	601314	CHRM1		0.47
		CHRM2	30	0.43
		CHRM3	57	0.53
		CHRM4	35	0.53
		CHRM5	40	0.53
Pozanicline106	6562	CHRNA2	33	0.57
		CHRNA4		0.57
		CHRNA10	53	0.55
Propiverine107	1530934	CHRM2	24	0.42
		CHRM3	50	0.57
Revatropate108	4214265	CHRM1	55	0.53
		CHRM2	33	0.53
		CHRM3	59	0.57
		GPM3		0.57
Temazepam109	740	GABA5	28	0.59
Udenafil110	13916432	PDE5A	74	0.61
Unoprostone111	8214703	PTGER1	45	0.57
		PTGER2	30	0.40
		PTGER3		0.57
		PTGDR	52	0.40
		PTGFR	85	0.51
Valategrast112	72190226	ITGA4	60	0.32
Verubulin113	35978229	TUBB3	62	0.51