Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTNNB1 | P35222 | 1/20 | 0.40 |
| ▸ | WNT3A | P56704 | 1/20 | 0.40 |
| ▸ | OPRK1 | P41145 | 7/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.36 |
| ▸ | LTA4H | P09960 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.34 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SRPK1 | Q96SB4 | 1/20 | 0.33 |
| ▸ | DRD2 | P14416 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 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 | |
|---|---|---|---|---|
| SCHEMBL6731153 | 0.83 | CTNNB1 (0.41) | CTNNB1WNT3AOPRK1KDM4EGAA | |
| SCHEMBL13604944 | 0.82 | CTNNB1 (0.40) | CTNNB1WNT3AOPRK1KDM4EGAA | |
| SCHEMBL13604926 | 0.79 | ROCK2 (0.43) | CTNNB1WNT3AOPRK1KDM4EGAA | |
| SCHEMBL6730552 | 0.78 | OPRK1 (0.41) | CTNNB1WNT3AOPRK1KDM4EGAA | |
| SCHEMBL10269438 | 0.77 | OPRK1 (0.40) | CTNNB1WNT3AOPRK1KDM4EGAA | |
| SCHEMBL6730751 | 0.76 | OPRK1 (0.39) | CTNNB1WNT3AOPRK1KDM4EGAA | |
| SCHEMBL3703447 | 0.71 | LTA4H (0.38) | CTNNB1WNT3AROCK2ROCK1LTA4H | |
| SCHEMBL3695817 | 0.71 | ROCK2 (0.49) | ROCK2ROCK1LTA4H | |
| SCHEMBL3695681 | 0.69 | ROCK2 (0.40) | ROCK2ROCK1LTA4HMAP3K11CHEK1 | |
| SCHEMBL3696781 | 0.69 | LTA4H (0.37) | CTNNB1WNT3AROCK2ROCK1LTA4H |
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-1851199-B1 | SUBSTITUTED BIS ARYL AND HETEROARYL COMPOUNDS AS SELECTIVE 5HT2A ANTAGONISTS | AVENTIS PHARMA INC (US) | 2012-05-16 | — | — | EP | disclosed |