Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK6 | Q16659 | 10/20 | 0.52 |
| ▸ | GSK3A | P49840 | 3/20 | 0.52 |
| ▸ | GSK3B | P49841 | 3/20 | 0.52 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 6/20 | 0.39 |
| ▸ | LMNA | P02545 | 3/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.39 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 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 | |
|---|---|---|---|---|
| Carbamic Acid SCHEMBL18813033 | 0.94 | MAPK6 (0.54) | MAPK6GSK3AGSK3BAURKACDK2 | |
| SCHEMBL16014967 | 0.85 | MAPK6 (0.61) | MAPK6GSK3AGSK3BAURKA | |
| SCHEMBL18830624 | 0.84 | MAPK6 (0.50) | MAPK6GSK3AGSK3BAURKA | |
| SCHEMBL18830319 | 0.82 | MAPK6 (0.54) | MAPK6GSK3AGSK3BAURKATP53 | |
| SCHEMBL18830045 | 0.82 | MAPK6 (0.54) | MAPK6GSK3AGSK3BAURKATP53 | |
| SCHEMBL18830178 | 0.81 | MAPK6 (0.53) | MAPK6GSK3AGSK3BAURKATP53 | |
| SCHEMBL18830129 | 0.80 | MAPK6 (0.52) | MAPK6GSK3AGSK3BAURKATP53 | |
| SCHEMBL18830326 | 0.80 | GSK3A (0.55) | MAPK6GSK3AGSK3BAURKATP53 | |
| SCHEMBL18830321 | 0.80 | GSK3A (0.55) | MAPK6GSK3AGSK3BAURKACCNE1 | |
| SCHEMBL18830208 | 0.79 | MAPK6 (0.53) | MAPK6GSK3AGSK3BAURKACCNE1 |
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 |