Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALK | Q9UM73 | 15/20 | 0.62 |
| ▸ | PDPK1 | O15530 | 3/20 | 0.47 |
| ▸ | TNIK | Q9UKE5 | 2/20 | 0.46 |
| ▸ | AXL | P30530 | 1/20 | 0.46 |
| ▸ | CDK8 | P49336 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL721235 | 0.86 | ALK (0.64) | ALKPDPK1TNIK | |
| SCHEMBL15562326 | 0.79 | ALK (0.81) | ALKTNIK | |
| SCHEMBL15554111 | 0.77 | ALK (1.00) | ALKPDPK1TNIK | |
| SCHEMBL15607288 | 0.76 | ALK (0.73) | ALKTNIKAXLCDK8 | |
| SCHEMBL15607467 | 0.75 | ALK (0.74) | ALKTNIKAXLCDK8 | |
| SCHEMBL10104585 | 0.74 | ALK (0.62) | ALKPDPK1TNIK | |
| SCHEMBL15562279 | 0.74 | ALK (0.83) | ALKPDPK1 | |
| SCHEMBL12530719 | 0.74 | PDPK1 (0.75) | PDPK1 | |
| SCHEMBL12530928 | 0.74 | PDPK1 (0.75) | PDPK1 | |
| SCHEMBL1913441 | 0.74 | PDPK1 (0.75) | PDPK1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2427461-A1 | 3-(Ý1,2,3¨TRIAZOLE-4-YL)-PYRROLOÝ2,3-B¨PYRIDINE DERIVATES | Merck Patent GmbH (DE) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010127754-A1 | 3-([1,2,3]TRIAZOLE-4-YL)-PYRROLO[2,3-B]PYRIDINE DERIVATES | MERCK PATENT GMBH (DE) | 2010-11-11 | — | — | WO | disclosed |