Data processing: measuring – calibrating – or testing – Measurement system in a specific environment – Biological or biochemical
Reexamination Certificate
1997-09-16
2001-03-06
Wachsman, Hal (Department: 2857)
Data processing: measuring, calibrating, or testing
Measurement system in a specific environment
Biological or biochemical
C702S027000, C702S032000, C700S266000
Reexamination Certificate
active
06199017
ABSTRACT:
TECHNICAL FIELD
The present invention relates to a processing apparatus and processing method for processing information in the biochemical field, and more particularly, to a processing apparatus and processing method that can search for a reaction path of a bio-related compound and continuously display the reaction path and that can obtain information concerning bio-related substances.
Further, the present invention concerns an information recording medium (computer program product), such as a flexible disk or a magnetic tape, in which biochemical information is recorded, and more particularly, the invention concerns an information recording medium having records of information for searching for a reaction path of a bio-related compound, information for continuously displaying the reaction path, information concerning the bio-related substances, and so on.
BACKGROUND ART
Compound database systems and programs storing compound information and reaction database systems and programs storing reaction information of compound have been developed heretofore. The compound database systems and programs store the compound information such as the physical properties and action of the existing compounds, and access is made to the compound information with the structure of a compound as a key. The reaction database systems store the reaction information of the existing compounds, and access is made to the reaction information with the structure of a compound as a key.
An example of such a compound database is “MACCS” which is a compound control system available from MDL Inc., Co., the United States. Examples of the reaction database systems include the integrated chemical information control system “ISIS” and reaction information control system “REACCS” available from MDL Inc., Co., the United States.
There are, however, no conventional compound/reaction database systems storing the relationship between compound and enzyme and the information concerning the bio-related substances in an integrated manner. Because of it, using the structure of a compound as a key, one was unable to efficiently obtain the information concerning the enzymes or the biochemical information related to the enzymes, substrates, and products. Also, there are no conventional compound/reaction database systems including a reaction path of plural compounds constructed in an integrated manner. It was, therefore, not possible to efficiently search for the reaction path involving a plurality of compounds.
Further, there are no conventional compound/reaction database systems collectively storing information concerning receptors existing for control of bio-function or for transmission of information in vivo, and the information concerning the bio-related substances (agonists and antagonists). It was, therefore, not possible to efficiently obtain the biochemical information related to the receptors, agonists, and antagonists.
An object of the present invention is to provide a biochemical information processing apparatus, biochemical information processing method, and information recording medium (computer program product), solving the above problems, which can permit one, even in the case of the structure of a compound being used as a key, to efficiently obtain the information concerning the enzymes or the biochemical information related to the enzymes, substrates, and products, which can permit one to efficiently search for a reaction path involving a plurality of compounds, and which can permit one to efficiently obtain the biochemical information related to the receptors, agonists, and antagonists.
DISCLOSURE OF INVENTION
First explained is the biochemical information processing apparatus of the present invention.
The biochemical information processing apparatus of the present invention is a biochemical information processing apparatus comprising
storage means for storing biochemical information about compounds and enzymes,
input means for accepting input of image data indicating said biochemical information or symbolic data indicating said biochemical information,
reaction scheme detection means for, when said input means accepts data about a compound being a substrate and/or a product, detecting a chemical reaction scheme involving said compound, based on the data, and
display means for indicating at least a reaction scheme diagram of the chemical reaction scheme;
wherein said storage means comprises
a compound information file storing a list showing the relation between compound numbers of the compounds and canonical data corresponding to said compounds, and additional information about said compounds,
an enzyme information file storing a list showing the relation among enzyme numbers of the enzymes, compound numbers of compounds being substrates for said enzymes, and compound numbers of compounds being products by said enzymes, and additional information about said enzymes, and
a relation (correlation) information file storing a list showing the relation among compound numbers of compounds as a key, enzyme numbers of enzymes with either said compound being a substrate, and enzyme numbers of enzymes with either said compound being a product; and
wherein said reaction scheme detection means comprises
a first process portion for preparing from the data about a compound accepted through said input means said canonical data uniquely indicating a chemical structure of said compound, further searching said compound information file, based on the canonical data, and thereby reading out a compound number corresponding to said canonical data when said canonical data exists in said compound information file,
a second process portion for reading an enzyme number of an enzyme with the compound being a substrate or a product out of said relation information file, based on the compound number read out in said first process portion,
a third process portion for reading a compound number of another compound constituting a reaction system together with the enzyme of the enzyme number read out in said second process portion and said compound, and additional information about said enzyme out of said enzyme information file, and
a fourth process portion for indicating a reaction scheme diagram of the compound accepted through said input means on said display means from the compound number read out in said first process portion, the enzyme number read out in said second process portion, and the compound number of the another compound read out in said third process portion, and further indicating the additional information about the enzyme read out in said third process portion on said display means.
With the above biochemical information processing apparatus of the present invention, when the data about the compound accepted through the input means is supplied to the first process portion, the canonical data is prepared from this data. Then the compound information file is searched based on the canonical data thus prepared, and if the canonical data exists in the compound information file, a compound number corresponding to the canonical data is read out thereof. The compound number read out in the first process portion is supplied to the second process portion, and the second process portion reads an enzyme number of an enzyme with this compound being a substrate or a compound out of the relation information file.
The enzyme number read out in the second process portion is supplied to the third process portion, and the third process portion reads a compound number of another compound constituting a reaction system together with the enzyme and the foregoing compound, and additional information about the enzyme out of the enzyme information file. Then the compound number read out in the first process portion, the enzyme number read out in the second process portion, and the compound number of the another compound read out in the third process portion are supplied to the fourth process portion, and the fourth process portion lets the display means indicate a reaction scheme diagram of the compound accepted through the input means. Similarly
Tamura Fumio
Tomonaga Atsushi
Beyer Weaver & Thomas LLP
Kureha Kagaku Kogyo Kabushiki Kaisha
Wachsman Hal
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