Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AVPR1A | P37288 | 6/20 | 0.46 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.40 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.39 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | AVPR2 | P30518 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GPR6 | P46095 | 2/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | IDH1 | O75874 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28092526 | 0.81 | AVPR1A (0.47) | AVPR1AHSD11B1GPBAR1HSD17B3MAPK1 | |
| SCHEMBL3094477 | 0.76 | AVPR1A (0.55) | AVPR1AHSD11B1GPBAR1HSD17B3MAPK1 | |
| SCHEMBL29505992 | 0.75 | MAPK1 (0.60) | AVPR1AHSD11B1GPBAR1HSD17B3MAPK1 | |
| SCHEMBL975814 | 0.75 | MAPK1 (0.60) | AVPR1AHSD11B1GPBAR1HSD17B3MAPK1 | |
| SCHEMBL3115822 | 0.73 | HSD17B3 (0.60) | AVPR1AHSD11B1GPBAR1HSD17B3AVPR2 | |
| SCHEMBL30529514 | 0.73 | HSD17B3 (0.60) | AVPR1AHSD11B1GPBAR1HSD17B3AVPR2 | |
| SCHEMBL28092562 | 0.73 | AVPR1A (0.49) | AVPR1AHSD11B1GPBAR1HSD17B3MAPK1 | |
| SCHEMBL7368183 | 0.73 | AVPR1A (0.54) | AVPR1AHSD11B1GPBAR1HSD17B3MAPK1 | |
| SCHEMBL22049116 | 0.73 | AVPR1A (0.54) | AVPR1AHSD11B1GPBAR1HSD17B3AVPR2 | |
| SCHEMBL28833120 | 0.72 | AVPR1A (0.51) | AVPR1AHSD11B1GPBAR1HSD17B3MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106029076-A | Benzopiperazine compositions as BET bromodomain inhibitors | 福马疗法公司 | 2016-10-12 | — | — | CN | claimed |