Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | PDE5A | O76074 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9561365 | 1.00 | CYP1A2 (0.31) | CYP1A2CYP2C9CYP2C19PDE5A | |
| SCHEMBL9560429 | 0.81 | KDM1A (0.43) | CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9637914 | 0.74 | NQO1 (0.47) | CYP1A2 | |
| SCHEMBL9561250 | 0.74 | NQO1 (0.47) | CYP1A2 | |
| SCHEMBL14524684 | 0.67 | HTR2A (0.38) | CYP1A2CYP2C19PDE5A | |
| SCHEMBL12231919 | 0.66 | GRIN2D (0.37) | PDE5A | |
| SCHEMBL12390575 | 0.65 | PDE5A (0.37) | PDE5A | |
| SCHEMBL13088298 | 0.64 | GRIN2D (0.36) | PDE5A | |
| SCHEMBL3800127 | 0.64 | MAPT (0.45) | — | |
| SCHEMBL15086906 | 0.64 | TAAR1 (0.40) | PDE5A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5225607-A | Multistage etherification or dehydrohalogenation and reductive dechlorination | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1993-07-06 | — | — | US | disclosed |
| EP-0276558-B1 | INSECTICIDAL ETHERS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1992-07-08 | — | — | EP | disclosed |
| EP-0276558-A2 | Insecticidal ethers | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-08-03 | — | — | EP | disclosed |