Cortexa research tool·drug discovery·swiss_target

SwissTargetPrediction Predict

Predict the most probable protein targets of a small molecule using SwissTargetPrediction. Given a SMILES string, returns ranked target predictions with probability scores, UniProt IDs, ChEMBL IDs, target classes, and known active compound counts. Uses 2D and 3D molecular similarity to known ligands. Supports human, mouse, rat, cow, and pig proteomes. Note: computation takes 30-60 seconds as it runs a real-time similarity search against ~370,000 known active compounds.

Livelast probed 2026-04-30 23:07Z· 122msCortexa

Status

The most recent probe succeeded. Safe to call from the agent today.

Last probed: 1d ago
Last success: 1d ago
Last latency: 122ms

Schema

JSON Schema the agent (or your API call) must match.

{
  "properties": {
    "operation": {
      "description": "Operation type",
      "enum": [
        "predict"
      ],
      "type": "string"
    },
    "organism": {
      "default": "Homo_sapiens",
      "description": "Target organism proteome. Use underscores. Valid options: Homo_sapiens (default), Mus_musculus, Rattus_norvegicus, Bos_taurus, Sus_scrofa",
      "type": [
        "string",
        "null"
      ]
    },
    "smiles": {
      "description": "SMILES representation of the query molecule. Must be a valid, druglike small molecule (not peptides or macromolecules). Examples: CC(=O)Oc1ccccc1C(=O)O (aspirin), CC(C)Cc1ccc(cc1)C(C)C(=O)O (ibuprofen), c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34 (benzo[a]pyrene)",
      "type": "string"
    },
    "top_n": {
      "description": "Return only the top N predictions ranked by probability. If null, returns all predictions (typically ~100 targets).",
      "type": [
        "integer",
        "null"
      ]
    }
  },
  "required": [
    "operation",
    "smiles"
  ],
  "type": "object"
}

Examples (1)

Default SwissTargetPrediction Predict call

public-safeinput

{
  "operation": "",
  "smiles": "CC(=O)Oc1ccccc1C(=O)O"
}

Expected response keys: success

Anonymous-safe example. Rate-limited; no sign-in required.

Identifiers

Catalog ID: tu_SwissTargetPrediction_predict
Tool name: SwissTargetPrediction_predict
Added: 2026-04-30 22:47Z
Tags: tooluniverse

SwissTargetPrediction Predict

Livelast probed 2026-04-30 23:07Z· 122msCortexa

Schema

JSON Schema the agent (or your API call) must match.

{ "properties": { "operation": { "description": "Operation type", "enum": [ "predict" ], "type": "string" }, "organism": { "default": "Homo_sapiens", "description": "Target organism proteome. Use underscores. Valid options: Homo_sapiens (default), Mus_musculus, Rattus_norvegicus, Bos_taurus, Sus_scrofa", "type": [ "string", "null" ] }, "smiles": { "description": "SMILES representation of the query molecule. Must be a valid, druglike small molecule (not peptides or macromolecules). Examples: CC(=O)Oc1ccccc1C(=O)O (aspirin), CC(C)Cc1ccc(cc1)C(C)C(=O)O (ibuprofen), c1ccc2c(c1)cc1ccc3cccc4ccc2c1c34 (benzo[a]pyrene)", "type": "string" }, "top_n": { "description": "Return only the top N predictions ranked by probability. If null, returns all predictions (typically ~100 targets).", "type": [ "integer", "null" ] } }, "required": [ "operation", "smiles" ], "type": "object" }