Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK6 | Q16659 | 11/20 | 0.55 |
| ▸ | GSK3A | P49840 | 3/20 | 0.54 |
| ▸ | GSK3B | P49841 | 3/20 | 0.54 |
| ▸ | AURKA | O14965 | 1/20 | 0.42 |
| ▸ | SYK | P43405 | 2/20 | 0.42 |
| ▸ | PIM1 | P11309 | 2/20 | 0.40 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.39 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.39 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.39 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.39 |
| ▸ | CDK4 | P11802 | 1/20 | 0.39 |
| ▸ | CCND1 | P24385 | 1/20 | 0.39 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16022138 | 1.00 | MAPK6 (0.55) | MAPK6GSK3AGSK3BAURKASYK | |
| SCHEMBL18830192 | 1.00 | MAPK6 (0.55) | MAPK6GSK3AGSK3BAURKASYK | |
| SCHEMBL17435242 | 0.85 | GSK3A (0.67) | MAPK6GSK3AGSK3BAURKASYK | |
| SCHEMBL16012654 | 0.85 | GSK3A (0.67) | MAPK6GSK3AGSK3BAURKASYK | |
| SCHEMBL16012653 | 0.85 | GSK3A (0.67) | MAPK6GSK3AGSK3BAURKASYK | |
| SCHEMBL16013413 | 0.84 | MAPK6 (0.68) | MAPK6GSK3AGSK3BSYK | |
| SCHEMBL16012742 | 0.84 | MAPK6 (0.68) | MAPK6GSK3AGSK3BSYK | |
| SCHEMBL18830194 | 0.83 | GSK3A (0.62) | MAPK6GSK3AGSK3BAURKASYK | |
| Carbamic Acid SCHEMBL18813092 | 0.81 | MAPK6 (0.61) | MAPK6GSK3AGSK3BAURKASYK | |
| SCHEMBL18830277 | 0.81 | MAPK6 (0.57) | MAPK6GSK3AGSK3BAURKA |
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 | disclosed |