Introduction

Ontologies are a representation of domain knowledge using defined concepts and the relationships between those concepts in a manner understandable to both humans and machines.

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The role concept (hereafter referred to as 'role') and corresponding ontological role model pattern provide a structured and modular way to capture many different real-world complexities.

Universal Statement (NO Role usage)

Example: Amlodipine Mesylate Monohydrate is included Amlodipine EMC (a pharmaceutical product)

Basic Role Pattern

In order to further specify a relationship we use the basic role pattern that allows to provide details that are valid only in a certain context.

Example: Amlodpine Besylate plays role active ingredient in Norvasc

The important thing is that we can now attach all information that further specifies the role of Amlodipine mesylate monohydrate in the context of Amlodipine EMC to the middle role node in the graph. E.g., strength.

Roles and Constituents (Product Compositions)

More complex case, where multiple roles need to be grouped and or distinguished in their representation, can be covered with the following constituency pattern.

Role Hierarchy in IDMP-O

The role (https://www.omg.org/spec/Commons/PartiesAndSituations/Role) is modeled as a class and can be specialized with sub-classes some of which are shown in diagram 2.

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Diagram 2: The role class and its specialized sub-classes.

Context Definition

The context is a "situation" or frame of reference in which something applies, exists, happens, or is used and that helps to illustrate or explain it. As with roles, contexts can be further specified with sub-classes as shown in Diagram 3.

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Diagram 3: Context and its sub-classes.

Examples

Modeling the active moiety role for Amlodipine bezylate in the regulatory context

Amlodipine bezylate is used here as a simple example to demonstrate the modeling pattern for contextualized roles, where Amlodipine plays the active moiety role for the drug Amlodipine bezylate in a regulatory context.

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Diagram 4: Modeling Amlodipine as the active moiety for Amlodipine bezylate in a regulatory context

Modeling the different active moiety roles for Aripiprazole lauroxil in different contexts

The contextualized role pattern is used here to model interpretations of the active moiety role for Aripiprazole in different situations. Aristada is a drug developed by Alkermes and is composed of Aripiprazole lauroxil. Aripiprazole lauroxil is first metabolized to N-hydroxymethyl aripiprazole, which is then further metabolized to Aripiprazole which exerts pharmaceutical effects in the body. From a regulatory perspective, Aripiprazole is thus the active moiety. However, based on the interpretation of a patent by the US court, based on the fillings by the owner of the intellectual property (IP) on Aripiprazole lauroxil, the active component is stated as the N-hydroxymethylated product instead. Diagrams 5 and 6 below demonstrate how in different contexts, the active moiety for Aripiprazole lauroxil can be either N-hydroxymethyl aripripazole or Aripiprazole itself.

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In the third example, the USP salt policy context is considered when naming the active moiety for Aripiprazole lauroxil. The USP (United States Pharmacopeia) Salt Policy outlines a naming and labeling approach for drug products containing an active ingredient that is a salt, and applies to drug product monograph titles published after the 1st of May 2013. According to the USP salt policy, Aripiprazole lauroxil is designated as the active moiety for Aripiprazole lauroxil (Diagram 7).

Moiety Role - N-hydroxymethyl aripiprazole - Patent Exclusivity

Diagram 5: Modeling N-hydroxymethyl aripiprazole as the active moiety for Aripiprazole lauroxil in a FDA patent exclusivity context

Moiety Role - Aripiprazole - Regulatory Context GSRS

Diagram 6: Modeling Aripiprazole as the active moiety for Aripiprazole lauroxil in a regulatory FDA GSRS context

Moiety Role - Aripiprazole - USP Salt Policy context

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USP documentation

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