Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 3/20 | 0.38 |
| ▸ | ROCK2 | O75116 | 3/20 | 0.37 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.37 |
| ▸ | DRD3 | P35462 | 4/20 | 0.37 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.35 |
| ▸ | WNT3A | P56704 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | MAP3K11 | Q16584 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.33 |
| ▸ | SRPK1 | Q96SB4 | 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 | |
|---|---|---|---|---|
| SCHEMBL3703351 | 0.95 | LTA4H (0.36) | LTA4HROCK2ROCK1DRD3CTNNB1 | |
| SCHEMBL6731153 | 0.87 | CTNNB1 (0.41) | LTA4HROCK2ROCK1DRD3CTNNB1 | |
| SCHEMBL3696781 | 0.87 | LTA4H (0.37) | LTA4HROCK2ROCK1DRD3CTNNB1 | |
| SCHEMBL3702061 | 0.83 | ROCK2 (0.43) | LTA4HROCK2ROCK1DRD3DRD2 | |
| SCHEMBL6730552 | 0.83 | OPRK1 (0.41) | LTA4HROCK2ROCK1DRD3CTNNB1 | |
| SCHEMBL3695896 | 0.82 | DRD3 (0.37) | LTA4HROCK2ROCK1DRD3CTNNB1 | |
| SCHEMBL3695681 | 0.80 | ROCK2 (0.40) | LTA4HROCK2ROCK1DRD3DRD2 | |
| SCHEMBL3699846 | 0.78 | ROCK2 (0.38) | LTA4HROCK2ROCK1DRD3DRD2 | |
| SCHEMBL13604767 | 0.77 | ROCK1 (0.38) | LTA4HROCK2ROCK1 | |
| SCHEMBL3702481 | 0.76 | CYP17A1 (0.37) | LTA4HROCK2ROCK1MAP3K11CHEK1 |
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 | claimed |