Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 4/20 | 0.60 |
| ▸ | GSK3B | P49841 | 4/20 | 0.60 |
| ▸ | MAPK6 | Q16659 | 10/20 | 0.57 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | AURKA | O14965 | 2/20 | 0.42 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | CCND2 | P30279 | 1/20 | 0.41 |
| ▸ | CCND3 | P30281 | 1/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.41 |
| ▸ | EIF2AK4 | Q9P2K8 | 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 | |
|---|---|---|---|---|
| SCHEMBL18830331 | 0.86 | MAPK6 (0.58) | GSK3AGSK3BMAPK6TP53LMNA | |
| SCHEMBL16022153 | 0.84 | MAPK6 (0.67) | GSK3AGSK3BMAPK6AURKAEIF2AK4 | |
| SCHEMBL5819986 | 0.83 | GSK3A (0.81) | GSK3AGSK3BMAPK6TP53LMNA | |
| SCHEMBL18830445 | 0.82 | GSK3A (0.64) | GSK3AGSK3BMAPK6TP53LMNA | |
| SCHEMBL18830621 | 0.82 | GSK3A (0.67) | GSK3AGSK3BMAPK6AURKACCNE1 | |
| SCHEMBL18830326 | 0.82 | GSK3A (0.55) | GSK3AGSK3BMAPK6TP53LMNA | |
| SCHEMBL16012225 | 0.82 | MAPK6 (0.82) | GSK3AGSK3BMAPK6TP53AURKA | |
| SCHEMBL18830194 | 0.81 | GSK3A (0.62) | GSK3AGSK3BMAPK6AURKACCNE1 | |
| SCHEMBL18830423 | 0.80 | MAPK6 (0.67) | GSK3AGSK3BMAPK6AURKACDK4 | |
| SCHEMBL16012274 | 0.80 | MAPK6 (0.82) | GSK3AGSK3BMAPK6TP53AURKA |
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 |