Eid Sameh, Turk Samo, Volkamer Andrea, Rippmann Friedrich, Fulle Simone
BioMed X Innovation Center, Im Neuenheimer Feld 515, 69120, Heidelberg, Germany.
Computational Chemistry and Biology, Merck KGaA, Frankfurter Str. 250, 64293, Darmstadt, Germany.
BMC Bioinformatics. 2017 Jan 5;18(1):16. doi: 10.1186/s12859-016-1433-7.
Annotations of the phylogenetic tree of the human kinome is an intuitive way to visualize compound profiling data, structural features of kinases or functional relationships within this important class of proteins. The increasing volume and complexity of kinase-related data underlines the need for a tool that enables complex queries pertaining to kinase disease involvement and potential therapeutic uses of kinase inhibitors.
Here, we present KinMap, a user-friendly online tool that facilitates the interactive navigation through kinase knowledge by linking biochemical, structural, and disease association data to the human kinome tree. To this end, preprocessed data from freely-available sources, such as ChEMBL, the Protein Data Bank, and the Center for Therapeutic Target Validation platform are integrated into KinMap and can easily be complemented by proprietary data. The value of KinMap will be exemplarily demonstrated for uncovering new therapeutic indications of known kinase inhibitors and for prioritizing kinases for drug development efforts.
KinMap represents a new generation of kinome tree viewers which facilitates interactive exploration of the human kinome. KinMap enables generation of high-quality annotated images of the human kinome tree as well as exchange of kinome-related data in scientific communications. Furthermore, KinMap supports multiple input and output formats and recognizes alternative kinase names and links them to a unified naming scheme, which makes it a useful tool across different disciplines and applications. A web-service of KinMap is freely available at http://www.kinhub.org/kinmap/ .
对人类激酶组系统发育树进行注释是一种直观的方式，可用于可视化化合物谱数据、激酶的结构特征或这类重要蛋白质内部的功能关系。激酶相关数据的数量和复杂性不断增加，这凸显了需要一种工具，能够实现与激酶疾病关联以及激酶抑制剂潜在治疗用途相关的复杂查询。
在此，我们展示了KinMap，这是一个用户友好的在线工具，通过将生化、结构和疾病关联数据与人类激酶组树相链接，促进对激酶知识的交互式导航。为此，来自免费可用来源（如ChEMBL、蛋白质数据库和治疗靶点验证平台中心）的预处理数据被整合到KinMap中，并且可以很容易地用专有数据进行补充。KinMap的价值将通过揭示已知激酶抑制剂的新治疗适应症以及为药物开发工作确定激酶优先级来得到示例性证明。
KinMap代表了新一代激酶组树查看器，便于对人类激酶组进行交互式探索。KinMap能够生成高质量的人类激酶组树注释图像，并在科学交流中实现激酶组相关数据的交换。此外，KinMap支持多种输入和输出格式，并识别替代激酶名称并将它们链接到统一的命名方案，这使其成为跨不同学科和应用的有用工具。KinMap的网络服务可在http://www.kinhub.org/kinmap/免费获取。
