Table 2. De novo Predictions, Rank-Ordered Based on Confidence.
| drug | target | support from previous experiments (ref) |
|---|---|---|
| Ergotamine | serotonin receptor 1A (5-HT1Aa) | direct32 |
| Amoxapine | serotonin receptor 2A (5-HT2A) | direct33 |
| Minaprine | histamine receptor H1 | |
| Trimipramine | α2A adrenergic receptor | indirectb |
| Amitriptyline | serotonin receptor 2C (5-HT2c) | indirectb |
| Tramadol | serotonin receptor 2C (5-HT2c) | indirectb |
| Clozapine | D(1B) dopamine receptor | indirectb |
| Doxepin | D(1A) dopamine receptor | indirectb |
| Nicardipine | histamine receptor H1 | |
| Flunitrazepam | GABAaα1 | indirectb |
| Paliperidone | serotonin receptor 7 (5-HT7) | direct42 |
| Iloperidone | α2B adrenergic receptor | indirectb |
| Propericiazine | α 1A adrenergic receptor (ADRA1Aa) | indirectb |
| Asenapine | α1B adrenergic receptor | indirectb |
| Verapamil | calmodulin | direct34,47 |
| Meperidine | Naa channel 10, type α | direct43 |
| Cinnarizine | calmodulin | direct44 |
| Paroxetine (paxil) | histamine receptor H1 | direct45,46 |
| Orphenadrine | DATa | indirectc |
| Citalopram | Naa-dependent NETa | indirect47 |
a
Abbreviations: GABA γ-aminobutyric-acid receptor; 5-HT 5-hydroxytryptamine (or serotonin) receptor; NET norepinephrine (or noradrenaline) transporter; ADRA1A adrenoreceptor α1 A; DAT dopamine transporter.
b
The cases listed as “indirect” refer to interactions of the drugs with different subtypes of the identified target.
c
Orphenadrine inhibits norepinephrine reuptake thus potentiating the effect of norepinephrine There are several drugs acting as norepinephrine-dopamine reuptake inhibitors, and ophenadrine might exhibit the same behavior.