Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | JAK1 | P23458 | 7/20 | 0.37 |
| ▸ | JAK2 | O60674 | 11/20 | 0.37 |
| ▸ | JAK3 | P52333 | 4/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.35 |
| ▸ | HDAC3 | O15379 | 6/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 6/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 6/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 6/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 6/20 | 0.35 |
| ▸ | HDAC10 | Q969S8 | 6/20 | 0.35 |
| ▸ | HDAC11 | Q96DB2 | 6/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 6/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 6/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 6/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 6/20 | 0.35 |
| ▸ | TYK2 | P29597 | 3/20 | 0.35 |
| ▸ | KDR | P35968 | 1/20 | 0.34 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.34 |
| ▸ | ITK | Q08881 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL16245576 | 0.88 | EGFR (0.46) | JAK1JAK2JAK3EGFRHDAC3 | |
| SCHEMBL18869218 | 0.80 | JAK1 (0.41) | JAK1JAK2JAK3BTKTYK2 | |
| SCHEMBL16245581 | 0.78 | ITK (0.52) | JAK2EGFRITKMEN1CYP1A2 | |
| SCHEMBL16245595 | 0.78 | ITK (0.51) | JAK1JAK2JAK3EGFRHDAC3 | |
| SCHEMBL16246167 | 0.77 | ITK (0.46) | JAK1JAK2JAK3EGFRHDAC3 | |
| SCHEMBL16245582 | 0.75 | GSK3B (0.47) | JAK2EGFRITKMEN1CYP1A2 | |
| SCHEMBL16245584 | 0.75 | STK17B (0.50) | JAK1JAK2JAK3BTKHDAC3 | |
| SCHEMBL16245562 | 0.75 | GSK3B (0.47) | JAK1JAK2JAK3EGFRHDAC3 | |
| SCHEMBL16245556 | 0.71 | JAK2 (0.44) | JAK1JAK2JAK3HDAC1HDAC6 | |
| SCHEMBL21953289 | 0.70 | JAK1 (0.41) | JAK1JAK2JAK3EGFRHDAC3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2994471-B1 | MACROCYCLES AS KINASE INHIBITORS | MERCK PATENT GMBH (DE) | 2017-05-17 | — | — | EP | disclosed |