Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.50 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.50 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.41 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.36 |
| ▸ | PTPRC | P08575 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | CDK8 | P49336 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL165236 | 0.96 | CYP2A6 (0.43) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| Methyl Alcohol SCHEMBL6013732 | 0.90 | MEN1 (0.41) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL12270182 | 0.88 | CYP2A6 (0.45) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL12270222 | 0.88 | CYP2A6 (0.45) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL28253950 | 0.87 | CYP2A6 (0.52) | CYP2A6CYP2B6CYP2E1CYP3A4CYP2C9 | |
| SCHEMBL27514810 | 0.83 | GPR35 (0.47) | CYP2A6CYP2B6CYP2E1PTGS2GPR35 | |
| Benzenesulfonamide SCHEMBL28258948 | 0.83 | PTGS2 (0.52) | CYP2A6CYP2B6CYP2E1PTGS2PTGS1 | |
| Dodecane SCHEMBL27631273 | 0.82 | MEN1 (0.40) | CYP2A6CYP2B6CYP2E1CYP2C9CYP2C19 | |
| Octane SCHEMBL27651712 | 0.82 | MEN1 (0.40) | CYP2A6CYP2B6CYP2E1CYP2C9CYP2C19 | |
| SCHEMBL27651714 | 0.82 | MEN1 (0.40) | CYP2A6CYP2B6CYP2E1CYP2C9CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| CN-108840853-A | A kind of benzene-terthienyl-benzene derivative and the preparation method and application thereof | 浙江工业大学 | 2018-11-20 | — | — | CN | claimed |
| CN-108840853-A | A kind of benzene-terthienyl-benzene derivative and the preparation method and application thereof | 浙江工业大学 | 2018-11-20 | — | — | CN | disclosed |
| CN-108840853-A | A kind of benzene-terthienyl-benzene derivative and the preparation method and application thereof | 浙江工业大学 | 2018-11-20 | — | — | CN | disclosed |
| CN-108840853-A | A kind of benzene-terthienyl-benzene derivative and the preparation method and application thereof | 浙江工业大学 | 2018-11-20 | — | — | CN | disclosed |