Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 2/20 | 0.49 |
| ▸ | DRD4 | P21917 | 13/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.36 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL23107088 | 0.85 | PDK1 (0.50) | PDK1DRD4HRH3DRD2 | |
| SCHEMBL5148568 | 0.83 | PDK1 (0.49) | PDK1DRD4HRH3DRD2 | |
| SCHEMBL5150493 | 0.83 | PDK1 (0.53) | PDK1DRD4HRH3DRD2 | |
| SCHEMBL295933 | 0.83 | PDK1 (0.53) | PDK1DRD4HRH3DRD2 | |
| SCHEMBL5368215 | 0.83 | PDK1 (0.49) | PDK1DRD4HRH3 | |
| Hydrochloric Acid SCHEMBL5147633 | 0.82 | PDK1 (0.48) | PDK1DRD4HRH3DRD2 | |
| Hydrochloric Acid SCHEMBL5363720 | 0.82 | PDK1 (0.48) | PDK1DRD4HRH3DRD2 | |
| SCHEMBL10263231 | 0.81 | PDK1 (0.53) | PDK1DRD4HRH3DRD2 | |
| SCHEMBL24037258 | 0.81 | PDK1 (0.53) | PDK1DRD4HRH3DRD2 | |
| Hydrochloric Acid SCHEMBL5366599 | 0.80 | PDK1 (0.46) | PDK1DRD4HRH3DRD2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1147104-B1 | AROMATIC HETEROCYCLIC COMPOUNDS AS ANTIINFLAMMATORY AGENTS | BOEHRINGER INGELHEIM PHARMA (US) | 2012-03-14 | — | — | EP | disclosed |
| EP-1709965-A2 | Methods of treating cytokine mediate diseases | Boehringer Ingelheim Pharmaceuticals, Inc. (US) | 2006-10-11 | — | — | EP | disclosed |
| US-6916814-B2 | Methods of treating cytokine mediated diseases | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-07-12 | — | — | US | disclosed |