Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | CA2 | P00918 | 10/20 | 0.57 |
| ▸ | CA12 | O43570 | 9/20 | 0.57 |
| ▸ | CA9 | Q16790 | 9/20 | 0.57 |
| ▸ | CA1 | P00915 | 8/20 | 0.57 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | SLC25A1 | P53007 | 1/20 | 0.45 |
| ▸ | IDO1 | P14902 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5870779 | 0.84 | VCAM1 (0.68) | ALDH1A1CA2CA12CA9CA1 | |
| SCHEMBL9795946 | 0.80 | CA2 (0.65) | ALDH1A1CA2CA12CA9CA1 | |
| SCHEMBL29787232 | 0.80 | CA2 (0.65) | ALDH1A1CA2CA12CA9CA1 | |
| Hydrochloric Acid SCHEMBL11779151 | 0.78 | CA2 (0.63) | ALDH1A1CA2CA12CA9CA1 | |
| SCHEMBL25354581 | 0.78 | VCAM1 (0.60) | ALDH1A1CA2CA12CA9CA1 | |
| SCHEMBL29747930 | 0.78 | VCAM1 (0.60) | ALDH1A1CA2CA12CA9CA1 | |
| SCHEMBL1494608 | 0.77 | CYP3A4 (0.52) | ALDH1A1CYP1A2CYP2D6CYP2C19VCAM1 | |
| SCHEMBL2535790 | 0.77 | CA2 (0.56) | ALDH1A1CYP1A2CYP2D6CYP2C19CA2 | |
| SCHEMBL1487913 | 0.76 | CA1 (0.53) | ALDH1A1CYP1A2CYP2D6CYP2C19CA2 | |
| SCHEMBL12603011 | 0.75 | GPR35 (0.53) | ALDH1A1CYP1A2CYP2D6CYP2C19CA2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109761944-A | A kind of chrysin amide derivatives and preparation method thereof and medical usage | 武汉翼博济生生物科技有限公司 | 2019-05-17 | — | — | CN | disclosed |
| CN-108963389-A | It is a kind of for lithium-air battery can gelling system and its preparation method and application | 北京师范大学 | 2018-12-07 | — | — | CN | disclosed |
| CN-108962627-A | A kind of supercapacitor or capacitor batteries of organic system | 北京师范大学 | 2018-12-07 | — | — | CN | disclosed |