Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.34 |
| ▸ | G6PD | P11413 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | VDR | P11473 | 1/20 | 0.33 |
| ▸ | MBTD1 | Q05BQ5 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28632900 | 0.89 | PARL (0.31) | ALDH1A1KMT2A | |
| SCHEMBL28631116 | 0.79 | CYP2D6 (0.40) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL28522889 | 0.71 | VDR (0.33) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL16934934 | 0.70 | CA12 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19GAA | |
| SCHEMBL28571205 | 0.70 | ALDH1A1 (0.59) | ALDH1A1MEN1HTTKMT2AMAPK1 | |
| SCHEMBL34810 | 0.70 | CYP2C19 (0.36) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL27994931 | 0.70 | ALDH1A1 (0.46) | ALDH1A1CYP3A4CYP2C9CYP2C19G6PD | |
| SCHEMBL28475122 | 0.70 | MCHR1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL28469653 | 0.70 | MCHR1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP2D6 | |
| SCHEMBL2230712 | 0.69 | MCHR1 (0.41) | ALDH1A1CYP3A4CYP2C9CYP2C19CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113248441-A | Dual-functional ionic liquid, preparation method thereof and application thereof in catalytic synthesis of bisphenol compound | 大连理工大学 | 2021-08-13 | — | — | CN | disclosed |