Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR | Q13258 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | ROS1 | P08922 | 3/20 | 0.39 |
| ▸ | SNCA | P37840 | 1/20 | 0.39 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.37 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | PDE5A | O76074 | 2/20 | 0.37 |
| ▸ | GPR39 | O43194 | 1/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2239882 | 0.91 | PTGDR (0.42) | PTGDRCYP3A4CDK2CYP2C9ROS1 | |
| SCHEMBL2239858 | 0.81 | HPGD (0.57) | CYP3A4CYP2C9SNCACLK4USP2 | |
| SCHEMBL4775435 | 0.80 | HTR1A (0.40) | PTGDRCYP3A4CYP2C9ROS1HDAC1 | |
| SCHEMBL2239769 | 0.80 | CYP1A2 (0.49) | PTGDRCYP3A4CDK2CYP2C9SNCA | |
| SCHEMBL2242579 | 0.79 | HTR6 (0.41) | PTGDRCYP3A4CYP2C9ROS1CLK4 | |
| SCHEMBL2237203 | 0.78 | CYP1A2 (0.48) | PTGDRCYP3A4CYP2C9ROS1CLK4 | |
| SCHEMBL2237295 | 0.76 | CYP2A6 (0.45) | PTGDRCYP3A4CYP2C9CLK4USP2 | |
| SCHEMBL2238098 | 0.76 | PTGDR (0.53) | PTGDRCYP3A4CYP2C9CLK4USP2 | |
| SCHEMBL2240945 | 0.76 | GBA1 (0.54) | PTGDRCYP3A4CYP2C9CLK4CYP1A2 | |
| SCHEMBL2244237 | 0.76 | CYP3A4 (0.47) | CYP3A4CYP2C9CLK4USP2CYP1A2 |
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-1878733-A1 | Pyrimidine derivatives as ALK-5 inhibitors | Novartis AG (CH) | 2008-01-16 | — | — | EP | disclosed |