Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKT2 | P31751 | 3/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.46 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.45 |
| ▸ | MTOR | P42345 | 7/20 | 0.45 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.43 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.42 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.42 |
| ▸ | KIT | P10721 | 2/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | PTPN11 | Q06124 | 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 | |
|---|---|---|---|---|
| SCHEMBL10197838 | 0.79 | PIK3CA (0.66) | PIK3CAMTORRPS6KB1AKT1 | |
| SCHEMBL10196526 | 0.78 | MTOR (0.68) | PIK3CAMTOR | |
| SCHEMBL10195779 | 0.77 | PIK3CA (0.68) | PIK3CAMTOR | |
| SCHEMBL10195404 | 0.77 | PIK3CA (0.67) | PIK3CAMTORRPS6KB1AKT1CHRM4 | |
| SCHEMBL6896339 | 0.76 | PIK3CA (0.55) | PIK3CAMTOR | |
| SCHEMBL10195993 | 0.76 | PIK3CA (0.64) | GSK3BCHEK1CHEK2PIK3CAMTOR | |
| SCHEMBL24632524 | 0.75 | AKT2 (0.44) | AKT2GSK3BCHEK1CHEK2PIK3CA | |
| SCHEMBL31625156 | 0.75 | AKT2 (0.44) | AKT2GSK3BCHEK1CHEK2PIK3CA | |
| SCHEMBL10197912 | 0.74 | PIK3CA (0.66) | PIK3CAMTORCHRM4 | |
| SCHEMBL10198433 | 0.74 | PIK3CA (0.70) | PIK3CAMTOR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011092197-A1 | 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | WO | disclosed |