Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3B | P49841 | 4/20 | 0.46 |
| ▸ | GSK3A | P49840 | 3/20 | 0.46 |
| ▸ | AURKA | O14965 | 2/20 | 0.46 |
| ▸ | PTK2 | Q05397 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 3/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.36 |
| ▸ | BTK | Q06187 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16245582 | 0.87 | GSK3B (0.47) | GSK3BGSK3AAURKAPTK2MAPT | |
| SCHEMBL16245562 | 0.85 | GSK3B (0.47) | GSK3BGSK3AAURKAPTK2MAPT | |
| SCHEMBL16245581 | 0.82 | ITK (0.52) | GSK3BGSK3AAURKAPTK2MAPT | |
| SCHEMBL16245595 | 0.80 | ITK (0.51) | GSK3BGSK3AAURKAPTK2MAPT | |
| SCHEMBL16245543 | 0.76 | PIN1 (0.54) | GSK3BGSK3AAURKAPTK2MAPT | |
| SCHEMBL16245576 | 0.75 | EGFR (0.46) | GSK3BGSK3AAURKAPTK2MAPT | |
| SCHEMBL16245548 | 0.75 | ITK (0.49) | AURKAMAPTEGFRFGFR1JAK2 | |
| SCHEMBL16245532 | 0.73 | PIN1 (0.53) | GSK3BGSK3AAURKAPTK2MAPT | |
| SCHEMBL16245565 | 0.73 | ITK (0.49) | AURKAMAPTEGFRFGFR1JAK2 | |
| SCHEMBL654394 | 0.71 | GSK3B (0.69) | GSK3BGSK3AAURKAPTK2MAPT |
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 |