Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK4 | P11802 | 2/20 | 0.54 |
| ▸ | CCND1 | P24385 | 2/20 | 0.54 |
| ▸ | JAK2 | O60674 | 2/20 | 0.52 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.47 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.47 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.47 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.47 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.47 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.46 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.44 |
| ▸ | DYRK3 | O43781 | 1/20 | 0.44 |
| ▸ | CLK1 | P49759 | 1/20 | 0.44 |
| ▸ | CLK2 | P49760 | 1/20 | 0.44 |
| ▸ | CLK3 | P49761 | 1/20 | 0.44 |
| ▸ | GSK3B | P49841 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29945640 | 1.00 | CDK4 (0.54) | CDK4CCND1JAK2MKNK1NPC1 | |
| SCHEMBL31651449 | 0.96 | CDK4 (0.54) | CDK4CCND1JAK2MKNK1NPC1 | |
| SCHEMBL19041627 | 0.96 | CDK4 (0.54) | CDK4CCND1JAK2MKNK1NPC1 | |
| SCHEMBL3365443 | 0.96 | CDK4 (0.54) | CDK4CCND1JAK2MKNK1NPC1 | |
| SCHEMBL12001022 | 0.96 | CDK4 (0.57) | CDK4CCND1JAK2MKNK1NPC1 | |
| SCHEMBL17154708 | 0.96 | CDK4 (0.57) | CDK4CCND1JAK2MKNK1NPC1 | |
| SCHEMBL29386403 | 0.96 | CDK4 (0.57) | CDK4CCND1JAK2MKNK1NPC1 | |
| SCHEMBL149685 | 0.96 | CDK4 (0.57) | CDK4CCND1JAK2MKNK1NPC1 | |
| SCHEMBL19041639 | 0.96 | CDK4 (0.57) | CDK4CCND1JAK2MKNK1NPC1 | |
| SCHEMBL3365890 | 0.96 | CDK4 (0.57) | CDK4CCND1JAK2MKNK1NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20150340621-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2015-11-26 | — | — | US | disclosed |
| WO-2014094964-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | MERCK PATENT GMBH (DE) | 2014-06-26 | — | — | WO | disclosed |
| US-20130116755-A1 | METAL COMPLEXES WITH ORGANIC LIGANDS AND USE THEREOF IN OLEDS | MERCK PATENT GMBH (DE) | 2013-05-09 | — | — | US | disclosed |