Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORB | Q92753 | 13/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | RORC | P51449 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL27653923 | 0.85 | ALDH1A1 (0.64) | RORBALDH1A1HSD17B10RORCCYP1A2 | |
| SCHEMBL257269 | 0.83 | RORB (0.60) | RORBALDH1A1HSD17B10RORCCYP1A2 | |
| SCHEMBL257608 | 0.83 | RORB (0.83) | RORBALDH1A1HSD17B10RORCCYP1A2 | |
| SCHEMBL257260 | 0.83 | RORB (0.60) | RORBALDH1A1HSD17B10RORCCYP1A2 | |
| SCHEMBL165773 | 0.81 | ADORA3 (0.61) | RORBALDH1A1HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL256651 | 0.80 | RORB (0.79) | RORBALDH1A1HSD17B10RORCCYP1A2 | |
| SCHEMBL257433 | 0.80 | RORB (0.72) | RORBALDH1A1HSD17B10RORCPOLB | |
| SCHEMBL2762916 | 0.79 | ALDH1A1 (0.64) | RORBALDH1A1HSD17B10CYP1A2CYP2D6 | |
| SCHEMBL2521905 | 0.77 | ALDH1A1 (0.62) | RORBALDH1A1HSD17B10CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL27583076 | 0.77 | ALDH1A1 (0.62) | RORBALDH1A1HSD17B10CYP1A2CYP2D6 |
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-2012027965-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2012-03-08 | — | — | WO | disclosed |