Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 20/20 | 0.53 |
| ▸ | INSR | P06213 | 9/20 | 0.53 |
| ▸ | TXK | P42681 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6272966 | 0.89 | ITK (0.54) | ITKINSRTXK | |
| SCHEMBL6413100 | 0.86 | ITK (0.51) | ITKINSRTXK | |
| SCHEMBL6413975 | 0.85 | ITK (0.51) | ITKINSRTXK | |
| SCHEMBL6274636 | 0.83 | ITK (0.52) | ITKINSRTXK | |
| SCHEMBL6023368 | 0.83 | ITK (0.74) | ITKINSRTXK | |
| SCHEMBL6420662 | 0.82 | ITK (0.51) | ITKINSRTXK | |
| SCHEMBL6414839 | 0.82 | ITK (0.59) | ITKINSRTXK | |
| SCHEMBL6416240 | 0.82 | ITK (0.61) | ITKINSRTXK | |
| SCHEMBL6417117 | 0.82 | ITK (0.59) | ITKINSRTXK | |
| SCHEMBL6413989 | 0.82 | ITK (0.49) | ITKINSRTXK |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005079791-A1 | THIOPHENE -2- CARBOXYLIC ACID - (1H - BENZIMIDAZOL - 2 YL) - AMIDE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE TEC KINASE ITK (INTERLEUKIN -2- INDUCIBLE T CELL KINASE) FOR THE TREATMENT OF INFLAMMATION, IMMUNOLOGICAL AND ALLERGIC DISORDERS | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-09-01 | — | — | WO | disclosed |