Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 1/20 | 0.61 |
| ▸ | BTK | Q06187 | 9/20 | 0.52 |
| ▸ | ITK | Q08881 | 9/20 | 0.52 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.51 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.49 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.49 |
| ▸ | IGF1R | P08069 | 1/20 | 0.48 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.47 |
| ▸ | PLCG1 | P19174 | 3/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | AXL | P30530 | 1/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL414814 | 0.92 | KIT (0.63) | KITBTKITKNTRK1DYRK1A | |
| SCHEMBL17523414 | 0.86 | KIT (0.63) | KITBTKITKNTRK1DYRK1A | |
| SCHEMBL412758 | 0.84 | KIT (0.63) | KITBTKITKNTRK1DYRK1A | |
| SCHEMBL414770 | 0.80 | CYP2D6 (0.59) | AAK1CYP2D6 | |
| SCHEMBL857051 | 0.79 | KIT (0.57) | KITBTKITKNTRK1AAK1 | |
| SCHEMBL414812 | 0.79 | AAK1 (0.63) | KITAAK1CYP2D6AXL | |
| SCHEMBL857930 | 0.77 | NTRK1 (0.60) | KITBTKITKNTRK1IGF1R | |
| SCHEMBL857556 | 0.76 | NTRK1 (0.57) | KITBTKITKNTRK1DYRK1A | |
| SCHEMBL413571 | 0.76 | KIT (0.56) | KITAAK1CYP2D6AXL | |
| SCHEMBL411253 | 0.75 | NTRK1 (0.58) | KITBTKITKNTRK1DYRK1A |
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 |
|---|---|---|---|---|---|---|---|
| US-9206188-B2 | Substituted pyrrolo[2,3-b]pyridines as ITK and JAK inhibitors | ARRIEN PHARMACEUTICALS LLC (US) | 2015-12-08 | — | — | US | disclosed |