Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | BRD4 | O60885 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 8/20 | 0.35 |
| ▸ | MAOA | P21397 | 7/20 | 0.35 |
| ▸ | KIF11 | P52732 | 5/20 | 0.34 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1294634 | 0.80 | CA9 (0.39) | CA9NPC1MAPK13MAPK12MAPK11 | |
| SCHEMBL14562688 | 0.76 | HDAC3 (0.38) | CA9BRD4MAOBMAOA | |
| SCHEMBL1294840 | 0.74 | ALDH1A1 (0.42) | BRD4MAOBMAOACYP11B1CYP11B2 | |
| SCHEMBL1294737 | 0.71 | MAOA (0.33) | CA9BRD4MAOBMAOAKIF11 | |
| SCHEMBL12110597 | 0.70 | NQO2 (0.43) | BRD4DRD2 | |
| SCHEMBL12020822 | 0.68 | DRD2 (0.46) | NPC1MAPK13MAPK12MAPK11MAPK14 | |
| SCHEMBL3956827 | 0.68 | CYP11B1 (0.44) | CA9BRD4MAOBMAOACYP11B1 | |
| SCHEMBL7936452 | 0.66 | AHR (0.42) | MAOBPDE3BPDE3AHTR1ADRD2 | |
| SCHEMBL18944247 | 0.66 | HTR1A (0.47) | CA9NPC1MAPK13MAPK12MAPK11 | |
| SCHEMBL2219489 | 0.65 | CA9 (0.56) | CA9NPC1MAPK13MAPK12MAPK11 |
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-2546255-A1 | BENZAZEPINE COMPOUND | Astellas Pharma Inc. (JP) | 2013-01-16 | — | — | EP | disclosed |