Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 5/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 4/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 2/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.30 |
| ▸ | CASP4 | P49662 | 1/20 | 0.30 |
| ▸ | CASP5 | P51878 | 1/20 | 0.30 |
| ▸ | CYP19A1 | P11511 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL21616786 | 0.85 | CYP3A4 (0.48) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7940321 | 0.69 | — | — | |
| SCHEMBL5495225 | 0.68 | CYP3A4 (0.55) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL8667992 | 0.67 | RELA (0.43) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL28539147 | 0.67 | CYP1A2 (0.43) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6609419 | 0.66 | — | — | |
| SCHEMBL272745 | 0.66 | — | — | |
| SCHEMBL23734906 | 0.66 | LOXL2 (0.50) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Bromide SCHEMBL9249645 | 0.64 | CYP3A4 (0.50) | CYP3A4CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11549923 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106966961-B | A kind of 2,6- bis- (4- pyridine ethylene) naphthalane hydrocarbon derivative and its preparation method and application | 贵州大学 | 2019-06-28 | — | — | CN | claimed |
| CN-106966961-B | A kind of 2,6- bis- (4- pyridine ethylene) naphthalane hydrocarbon derivative and its preparation method and application | 贵州大学 | 2019-06-28 | — | — | CN | disclosed |