Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 4/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | DRD4 | P21917 | 5/20 | 0.33 |
| ▸ | PDE5A | O76074 | 1/20 | 0.33 |
| ▸ | PDE11A | Q9HCR9 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.32 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.31 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27687247 | 1.00 | PDK1 (0.46) | PDK1HRH3DRD4PDE5APDE11A | |
| SCHEMBL27687249 | 1.00 | PDK1 (0.46) | PDK1HRH3DRD4PDE5APDE11A | |
| SCHEMBL12226471 | 0.86 | PDK1 (0.44) | PDK1HRH3DRD4PDE5APDE11A | |
| SCHEMBL12226473 | 0.86 | PDK1 (0.44) | PDK1HRH3DRD4PDE5APDE11A | |
| SCHEMBL12226474 | 0.86 | PDK1 (0.44) | PDK1HRH3DRD4PDE5APDE11A | |
| SCHEMBL28072207 | 0.84 | CHEK1 (0.33) | PDK1HRH3DRD4DRD2DRD3 | |
| SCHEMBL28151915 | 0.84 | CHEK1 (0.33) | PDK1HRH3DRD4DRD2DRD3 | |
| SCHEMBL28151920 | 0.84 | CHEK1 (0.33) | PDK1HRH3DRD4DRD2DRD3 | |
| SCHEMBL28182086 | 0.84 | DRD4 (0.33) | PDK1HRH3DRD4DRD2DRD3 | |
| SCHEMBL28195277 | 0.83 | DRD4 (0.36) | PDK1DRD4DRD2DRD3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108774232-A | 2,3- glyoxalidine simultaneously [1,2-c] quinazoline substitutive derivative | 拜耳知识产权有限责任公司 | 2018-11-09 | — | — | CN | disclosed |
| CN-108175749-A | The solid dispersions of melt extrusion containing cell death inducer | 艾伯维爱尔兰无限公司 | 2018-06-19 | — | — | CN | disclosed |
| CN-107922379-A | Substituted guanidine derivatives | 宇部兴产株式会社 | 2018-04-17 | — | — | CN | disclosed |
| CN-103282025-B | Melt-extruded solid dispersions containing apoptosis-inducing agents | 艾伯维爱尔兰无限公司 | 2018-01-02 | — | — | CN | disclosed |
| CN-104876927-B | Apoptosis-inducing agents for the treatment of cancer and immune and autoimmune diseases | 艾伯维爱尔兰无限公司 | 2017-06-23 | — | — | CN | disclosed |