Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | TBXA2R | P21731 | 4/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PDE9A | O76083 | 4/20 | 0.46 |
| ▸ | TBXAS1 | P24557 | 10/20 | 0.46 |
| ▸ | PTGIS | Q16647 | 1/20 | 0.46 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL10401683 | 0.94 | TBXA2R (0.54) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL10401258 | 0.92 | PDE9A (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL10401529 | 0.90 | CYP1A2 (0.67) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL10401360 | 0.88 | PDE9A (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL10401720 | 0.86 | TBXAS1 (0.51) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL10471482 | 0.86 | CYP1A2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL10469626 | 0.84 | CYP1A2 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL9717913 | 0.84 | CYP1A2 (0.76) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R | |
| SCHEMBL10471495 | 0.84 | TBXAS1 (0.53) | CYP1A2CYP3A4CYP2C9CYP2C19TBXAS1 | |
| SCHEMBL10401486 | 0.84 | TBXA2R (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19TBXA2R |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4925869-A | REACTIVATING ENZYME ACETYLCHOLINESTERASE INHIBITED BY LETHAL DOSE OF SOMAN | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-05-15 | — | — | US | disclosed |
| US-4921979-A | THROMBOXANE A2 ANTAGONISTS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-05-01 | — | — | US | disclosed |
| US-4775684-A | 1,3-dioxane ethers | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-10-04 | — | — | US | disclosed |
| EP-0201351-A2 | 1,3-Dioxane ethers | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1986-11-12 | — | — | EP | disclosed |