Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTA4H | P09960 | 2/20 | 0.73 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.73 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.71 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.71 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.71 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.71 |
| ▸ | DRD2 | P14416 | 5/20 | 0.62 |
| ▸ | TSHR | P16473 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | HTR7 | P34969 | 1/20 | 0.57 |
| ▸ | HRH1 | P35367 | 3/20 | 0.56 |
| ▸ | DRD1 | P21728 | 2/20 | 0.56 |
| ▸ | DRD4 | P21917 | 2/20 | 0.56 |
| ▸ | DRD5 | P21918 | 2/20 | 0.56 |
| ▸ | DRD3 | P35462 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL14970707 | 1.00 | LTA4H (0.73) | LTA4HPTGS2CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL14969001 | 0.98 | LTA4H (0.71) | LTA4HPTGS2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL7601343 | 0.85 | HTR2C (0.60) | LTA4HPTGS2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL16643959 | 0.85 | CYP2D6 (0.97) | LTA4HPTGS2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17848431 | 0.84 | DRD2 (0.61) | LTA4HPTGS2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17848474 | 0.84 | DRD2 (0.58) | LTA4HPTGS2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL12218602 | 0.83 | CYP2D6 (1.00) | LTA4HPTGS2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17848636 | 0.83 | HTR7 (0.61) | LTA4HPTGS2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17848618 | 0.83 | HTR1A (0.61) | LTA4HPTGS2CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL17848384 | 0.81 | DRD2 (0.71) | LTA4HPTGS2CYP1A2CYP2D6CYP2C19 |
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-3233077-A1 | DOPAMINE D2 RECEPTOR LIGANDS | The Broad Institute Inc. (US) | 2017-10-25 | — | — | EP | disclosed |
| WO-2016100940-A1 | DOPAMINE D2 RECEPTOR LIGANDS | THE BROAD INSTITUTE, INC. (US) | 2016-06-23 | — | — | WO | disclosed |