Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.42 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL14948398 | 0.84 | CYP1A2 (0.46) | CYP1A2CHRM2CHRM1ALDH1A1CYP2D6 | |
| SCHEMBL14948438 | 0.80 | CYP1A2 (0.45) | CYP1A2CYP2A6ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL9858134 | 0.68 | CHRM2 (0.52) | CHRM2CHRM1ALDH1A1 | |
| SCHEMBL10053554 | 0.68 | CYP1A2 (0.65) | CYP1A2CYP2A6ALDH1A1 | |
| SCHEMBL13367583 | 0.68 | CYP1A2 (0.52) | CYP1A2CYP2A6ALDH1A1CYP2D6CYP2C19 | |
| SCHEMBL7919050 | 0.67 | CYP2D6 (0.59) | CYP1A2CYP2A6CHRM2CHRM1ALDH1A1 | |
| Iodide SCHEMBL9148519 | 0.67 | CHRM2 (0.47) | CYP1A2CYP2A6CHRM2CHRM1ALDH1A1 | |
| SCHEMBL12744236 | 0.67 | CYP2A6 (0.54) | CYP1A2CYP2A6ALDH1A1CYP2D6CYP2C19 | |
| Water SCHEMBL10453139 | 0.67 | CHRM2 (0.50) | CHRM2CHRM1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6441812 | 0.67 | CHRM2 (0.50) | CHRM2CHRM1ALDH1A1CHRNB2CHRNA4 |
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-9184388-B2 | Layered structure, electronic device using same, aromatic compound, and method for manufacturing said compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-11-10 | — | — | US | disclosed |
| US-20130119369-A1 | LAYERED STRUCTURE, ELECTRONIC DEVICE USING SAME, AROMATIC COMPOUND, AND METHOD FOR MANUFACTURING SAID COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-05-16 | — | — | US | disclosed |