Table 3 Strategy to assign drug-target interaction types (DTI).

From: A compound-target pairs dataset: differences between drugs, clinical candidates and other bioactive compounds

In DRUG_MECHANISM table?

max_phase?

Therapeutic target?

DTI annotation

Explanation

Yes

4

—

D_DT

Drug – drug target

Yes

3

—

C3_DT

Clinical candidate in phase 3 – drug target

Yes

2

—

C2_DT

Clinical candidate in phase 2 – drug target

Yes

1

—

C1_DT

Clinical candidate in phase 1 – drug target

Yes

<1

—

C0_DT

Compound in unknown clinical phase – drug target

No

—

Yes

DT

Drug target

No

—

No

NDT

Not drug target

  1. A max_phase of <1 refers to max_phase = 0 in ChEMBL 31 and earlier versions. Since ChEMBL 32, it refers to compounds in phase 0.5 (early phase one), −1 (clinical phase unknown) and NULL (preclinical compounds).