Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.42 |
| ▸ | ATAD2 | Q6PL18 | 1/20 | 0.42 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.41 |
| ▸ | DPP4 | P27487 | 3/20 | 0.39 |
| ▸ | DPP8 | Q6V1X1 | 3/20 | 0.39 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK3 | Q15120 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.35 |
| ▸ | DRD2 | P14416 | 1/20 | 0.34 |
| ▸ | DRD1 | P21728 | 1/20 | 0.34 |
| ▸ | DRD5 | P21918 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL3664252 | 0.92 | NR1H2 (0.45) | BRD4ATAD2NR1H2DPP4DPP8 | |
| SCHEMBL2984099 | 0.85 | DPP4 (0.38) | DPP4DPP8RIPK1ALDH1A1 | |
| SCHEMBL19638457 | 0.85 | CAMK2A (0.47) | DPP4DPP8PDK1PDK2PDK3 | |
| SCHEMBL14575206 | 0.82 | NR1H2 (0.45) | BRD4ATAD2NR1H2DPP4DPP8 | |
| SCHEMBL30997677 | 0.82 | NR1H2 (0.45) | BRD4ATAD2NR1H2DPP4DPP8 | |
| SCHEMBL3664186 | 0.81 | DPP4 (0.42) | DPP4DPP8DRD2HSD11B1CYP1A2 | |
| SCHEMBL4638198 | 0.80 | DPP4 (0.36) | DPP4DPP8ALDH1A1CYP1A2CYP3A4 | |
| SCHEMBL3657288 | 0.79 | HDAC6 (0.40) | DPP4DPP8HSD11B1ALDH1A1CYP2C19 | |
| SCHEMBL18759913 | 0.78 | DPP4 (0.46) | DPP4DPP8HSD11B1ALDH1A1 | |
| SCHEMBL4032578 | 0.77 | ESR1 (0.51) | DRD2DRD1DRD5 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1951712-A2 | CHEMICAL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007059952-A2 | 1-BENZAZEPINE-3-SULFONYLAMINO-2-PYRRLORIDONES AS FACTOR XA INHIBITORS | GLAXO GROUP LIMITED (GB) | 2007-05-31 | — | — | WO | disclosed |