Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSK3A | P49840 | 3/20 | 0.55 |
| ▸ | GSK3B | P49841 | 3/20 | 0.55 |
| ▸ | MAPK6 | Q16659 | 10/20 | 0.53 |
| ▸ | CDK4 | P11802 | 1/20 | 0.42 |
| ▸ | CCND1 | P24385 | 1/20 | 0.42 |
| ▸ | CCND2 | P30279 | 1/20 | 0.42 |
| ▸ | CCND3 | P30281 | 1/20 | 0.42 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.41 |
| ▸ | MAPK9 | P45984 | 2/20 | 0.41 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | MAPK10 | P53779 | 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 | |
|---|---|---|---|---|
| SCHEMBL18830045 | 0.85 | MAPK6 (0.54) | GSK3AGSK3BMAPK6CDK4CCND1 | |
| SCHEMBL18830178 | 0.85 | MAPK6 (0.53) | GSK3AGSK3BMAPK6CDK4CCND1 | |
| SCHEMBL16011895 | 0.84 | MAPK6 (0.63) | GSK3AGSK3BMAPK6AURKA | |
| SCHEMBL16011896 | 0.84 | MAPK6 (0.63) | GSK3AGSK3BMAPK6AURKA | |
| SCHEMBL18830239 | 0.82 | GSK3A (0.60) | GSK3AGSK3BMAPK6CDK4CCND1 | |
| SCHEMBL18830319 | 0.81 | MAPK6 (0.54) | GSK3AGSK3BMAPK6CDK4CCND1 | |
| SCHEMBL18830321 | 0.81 | GSK3A (0.55) | GSK3AGSK3BMAPK6CDK4CCND1 | |
| SCHEMBL18830216 | 0.80 | GSK3A (0.57) | GSK3AGSK3BMAPK6MAPK8MAPK9 | |
| Carbamic Acid SCHEMBL18813041 | 0.80 | MAPK6 (0.56) | GSK3AGSK3BMAPK6CDK4CCND1 | |
| SCHEMBL18830129 | 0.80 | MAPK6 (0.52) | GSK3AGSK3BMAPK6CDK4CCND1 |
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 |