{
  "patent_number": "US 11176462",
  "country": "US",
  "title": "Predicting How Molecules Interact with Proteins Using Two AI Streams",
  "original_title": "System and method for prediction of protein-ligand interactions and their bioactivity",
  "summary": "This patent describes a computer system that uses two separate artificial intelligence models, one for molecules and one for proteins, to predict how they will interact and what biological effects they might have.",
  "what_it_does": "The system predicts how a target molecule (a ligand) will interact with a target protein segment and what biological effect that interaction will have. It does this by first taking the chemical notation of the target molecule and processing it through a trained graph-based neural network to get a \"first vector result\" (Claim 1). Separately, it takes the chemical notation of the target protein segment and processes it through a trained sequence-based neural network to get a \"second vector result\" (Claim 1). These two results are then combined, or \"concatenated,\" and used to make a prediction about the bioactivity. For example, a drug researcher could input a new drug candidate molecule and a protein known to be involved in a disease, and the system would predict if the drug is likely to bind to the protein and what effect it might have.",
  "what_it_does_not_cover": [
    "Does not cover systems that use only a single machine learning model to analyze both the ligand and protein simultaneously, rather than two separate streams.",
    "Does not cover prediction systems that do not concatenate distinct vector results from separate ligand and protein processing streams.",
    "Does not cover systems that predict interactions without using a graph-based neural network for the ligand analysis.",
    "Does not cover systems that predict interactions without using a sequence-based neural network for the protein segment analysis.",
    "Does not cover methods that do not receive chemical notation as input for both the target molecule and target protein segment.",
    "Does not cover systems that predict interactions but do not specifically output a prediction as to the bioactivity."
  ],
  "filed": "2021-02-09",
  "granted": "2021-11-16",
  "expires": "2041-02-09",
  "status": "active",
  "holder": "RO5",
  "holder_url": "https://patentbrief.org/company/ro5",
  "inventors": [
    {
      "name": "Alwin Bucher",
      "url": "https://patentbrief.org/inventor/alwin-bucher"
    },
    {
      "name": "{circumflex over (Z)}ygimantas Joĉys",
      "url": "https://patentbrief.org/inventor/circumflex-over-zygimantas-joys"
    },
    {
      "name": "Aurimas Pabrinkis",
      "url": "https://patentbrief.org/inventor/aurimas-pabrinkis"
    },
    {
      "name": "Mikhail Demtchenko",
      "url": "https://patentbrief.org/inventor/mikhail-demtchenko"
    },
    {
      "name": "Cooper Stergis Jamieson",
      "url": "https://patentbrief.org/inventor/cooper-stergis-jamieson"
    },
    {
      "name": "Roy Tal",
      "url": "https://patentbrief.org/inventor/roy-tal"
    },
    {
      "name": "Zeyu YANG",
      "url": "https://patentbrief.org/inventor/zeyu-yang"
    },
    {
      "name": "Orestis Bastas",
      "url": "https://patentbrief.org/inventor/orestis-bastas"
    },
    {
      "name": "Charles Dazler Knuff",
      "url": "https://patentbrief.org/inventor/charles-dazler-knuff"
    }
  ],
  "times_cited": 7,
  "tags": [
    "biotech",
    "pharmaceutical",
    "ai_ml",
    "software"
  ],
  "abstract": "A system and method for computationally tractable prediction of protein-ligand interactions and their bioactivity. According to an embodiment, the system and method comprise two machine learning processing streams and concatenating their outputs. One of the machine learning streams is trained using information about ligands and their bioactivity interactions with proteins. The other machine learning stream is trained using information about proteins and their bioactivity interactions with ligands. After the machine learning algorithms for each stream have been trained, they can be used to predict the bioactivity of a given protein-ligand pair by inputting a specified ligand into the ligand processing stream and a specified protein into the protein processing stream. The machine learning algorithms of each stream predict possible protein-ligand bioactivity interactions based on the training data.",
  "url": "https://patentbrief.org/patent/us/11176462/system-and-method-for-prediction-of-protein-ligand-interactions-and-their-bioact",
  "markdown_url": "https://patentbrief.org/patent/us/11176462/system-and-method-for-prediction-of-protein-ligand-interactions-and-their-bioact/md",
  "google_patents_url": "https://patents.google.com/patent/US11176462",
  "relatedPatents": []
}