Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ITK | Q08881 | 3/20 | 0.51 |
| ▸ | EGFR | P00533 | 2/20 | 0.51 |
| ▸ | GSK3A | P49840 | 6/20 | 0.48 |
| ▸ | GSK3B | P49841 | 6/20 | 0.48 |
| ▸ | AURKA | O14965 | 4/20 | 0.48 |
| ▸ | EIF2AK4 | Q9P2K8 | 3/20 | 0.43 |
| ▸ | MAPK6 | Q16659 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL16245750 | 0.91 | GSK3A (0.53) | ITKEGFRGSK3AGSK3BAURKA | |
| SCHEMBL16245571 | 0.88 | ITK (0.51) | ITKEGFRGSK3AGSK3BAURKA | |
| SCHEMBL18869178 | 0.85 | GSK3A (0.53) | ITKEGFRGSK3AGSK3BAURKA | |
| SCHEMBL16245615 | 0.82 | ITK (0.49) | ITKEGFRGSK3AGSK3BAURKA | |
| SCHEMBL16245579 | 0.81 | ITK (0.48) | ITKEGFRGSK3AGSK3BAURKA | |
| SCHEMBL16245626 | 0.81 | GSK3A (0.59) | ITKGSK3AGSK3BAURKAEIF2AK4 | |
| SCHEMBL16245529 | 0.78 | GSK3A (0.59) | ITKEGFRGSK3AGSK3BAURKA | |
| SCHEMBL16245550 | 0.78 | GSK3A (0.59) | ITKEGFRGSK3AGSK3BAURKA | |
| SCHEMBL13764064 | 0.77 | GSK3A (0.47) | ITKEGFRGSK3AGSK3BAURKA | |
| SCHEMBL17821175 | 0.77 | EIF2AK4 (0.56) | ITKEGFRGSK3AGSK3BAURKA |
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 |