Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK6 | Q16659 | 11/20 | 0.62 |
| ▸ | GSK3A | P49840 | 3/20 | 0.48 |
| ▸ | GSK3B | P49841 | 3/20 | 0.48 |
| ▸ | CCNA2 | P20248 | 2/20 | 0.45 |
| ▸ | CDK2 | P24941 | 2/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.45 |
| ▸ | AURKA | O14965 | 2/20 | 0.45 |
| ▸ | EIF2AK4 | Q9P2K8 | 1/20 | 0.44 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.43 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.41 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.41 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.41 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.41 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17435308 | 0.87 | MAPK6 (0.65) | MAPK6GSK3AGSK3BEIF2AK4 | |
| Bicarbonate SCHEMBL18813022 | 0.86 | MAPK6 (0.78) | MAPK6GSK3AGSK3BCCNA2CDK2 | |
| SCHEMBL18813078 | 0.86 | GSK3A (0.44) | MAPK6GSK3AGSK3BEIF2AK4KDM5B | |
| SCHEMBL18813097 | 0.85 | EIF2AK4 (0.47) | MAPK6GSK3AGSK3BEIF2AK4BMPR1B | |
| Carbamic Acid SCHEMBL18813032 | 0.84 | MAPK6 (0.81) | MAPK6GSK3AGSK3BCCNA2CDK2 | |
| Carbamic Acid SCHEMBL18813068 | 0.83 | MAPK6 (0.80) | MAPK6GSK3AGSK3BCCNA2CDK2 | |
| SCHEMBL16012225 | 0.83 | MAPK6 (0.82) | MAPK6GSK3AGSK3BCCNA2CDK2 | |
| Dimethylcarbate SCHEMBL18813036 | 0.83 | MAPK6 (0.73) | MAPK6GSK3AGSK3BCCNA2CDK2 | |
| Carbamic Acid SCHEMBL18813103 | 0.83 | MAPK6 (0.81) | MAPK6GSK3AGSK3BCCNA2CDK2 | |
| SCHEMBL16022028 | 0.82 | MAPK6 (0.78) | MAPK6GSK3AGSK3BEIF2AK4TP53 |
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-2964649-B1 | TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER | MERCK PATENT GMBH (DE) | 2017-05-10 | — | — | EP | claimed |