Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.64 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.64 |
| ▸ | TBXAS1 | P24557 | 12/20 | 0.46 |
| ▸ | PTGIS | Q16647 | 8/20 | 0.46 |
| ▸ | PDE9A | O76083 | 4/20 | 0.45 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9717913 | 0.92 | CYP1A2 (0.76) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL10567866 | 0.90 | CYP1A2 (0.79) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL9717936 | 0.89 | CYP1A2 (0.72) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL10465109 | 0.88 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL10401258 | 0.84 | PDE9A (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL10470041 | 0.79 | TBXAS1 (0.59) | TBXAS1PTGISTBXA2R | |
| SCHEMBL10350315 | 0.79 | TBXAS1 (0.61) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL10401360 | 0.79 | PDE9A (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL12330327 | 0.78 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL13252966 | 0.78 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4803220-A | THROMBOXANE A2 ANTAGONIST | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1989-02-07 | — | — | US | disclosed |
| EP-0177121-A2 | Pharmaceutical dioxane derivatives | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-04-09 | — | — | EP | disclosed |