Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | NCK1 | P16333 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14547859 | 0.88 | CYP2A6 (0.61) | CYP2A6CYP1A2TDP1NCK1BACE1 | |
| SCHEMBL14948435 | 0.82 | CYP2A6 (0.45) | CYP2A6CYP1A2TDP1SLC6A2SLC6A4 | |
| SCHEMBL14527632 | 0.82 | CYP1A2 (0.59) | CYP2A6CYP1A2TDP1NCK1BACE1 | |
| SCHEMBL14948326 | 0.78 | CYP2A6 (0.41) | CYP2A6CYP1A2TDP1SLC6A2SLC6A4 | |
| SCHEMBL13304731 | 0.78 | CYP1A2 (0.65) | CYP2A6CYP1A2TDP1NCK1BACE1 | |
| SCHEMBL14948325 | 0.77 | CYP2A6 (0.40) | CYP2A6CYP1A2TDP1SLC6A2SLC6A4 | |
| SCHEMBL12111311 | 0.77 | CYP2A6 (0.68) | CYP2A6CYP1A2TDP1SLC6A2SLC6A4 | |
| SCHEMBL14948436 | 0.77 | SLC6A2 (0.39) | CYP2A6CYP1A2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14948431 | 0.77 | SLC6A2 (0.42) | CYP2A6CYP1A2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL14948322 | 0.75 | CYP2A6 (0.42) | CYP2A6CYP1A2TDP1SLC6A2SLC6A4 |
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 |