Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 1/20 | 0.39 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28112435 | 0.88 | CYP1A2 (0.46) | ESR1ESR2CYP1A2CYP2A6GSTP1 | |
| SCHEMBL4154803 | 0.84 | CYP1A2 (0.50) | ESR1ESR2CYP1A2CYP2A6GSTP1 | |
| SCHEMBL30819717 | 0.81 | ESR1 (0.43) | ESR1ESR2CYP1A2CYP2A6GSTP1 | |
| SCHEMBL31711777 | 0.79 | ESR1 (0.34) | ESR1ESR2CA1CA2 | |
| SCHEMBL22978413 | 0.78 | CYP1A2 (0.41) | ESR1ESR2CYP1A2CYP2A6GSTP1 | |
| SCHEMBL14548275 | 0.78 | ESR1 (0.52) | ESR1ESR2CYP1A2CYP2A6GSTP1 | |
| SCHEMBL4139773 | 0.78 | ALDH1A1 (0.39) | CYP1A2ALOX5AKR1C2HSD17B1HSD17B2 | |
| SCHEMBL28233048 | 0.78 | ESR1 (0.50) | ESR1ESR2CYP1A2CYP2A6GSTP1 | |
| SCHEMBL10918631 | 0.77 | LMNA (0.39) | CYP1A2AKR1C2HSD17B1HSD17B2ALDH1A1 | |
| SCHEMBL28233058 | 0.77 | IKBKB (0.46) | ESR1ESR2CYP1A2CYP2A6GSTP1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108373461-B | A kind of method that light/nickel concerted catalysis prepares fluoro biaryl | 陕西师范大学 | 2019-08-20 | — | — | CN | disclosed |
| CN-106187656-B | The method that magnesium assists nickel catalysis polyfluoro aromatic hydrocarbons list arylation | 陕西师范大学 | 2018-10-23 | — | — | CN | disclosed |
| CN-106146454-B | The method that Negishi couplings prepare polyfluoro biaryl hydrocarbon compound | 陕西师范大学 | 2018-08-24 | — | — | CN | disclosed |
| CN-108373461-A | A kind of method that light/nickel concerted catalysis prepares fluoro biaryl | 陕西师范大学 | 2018-08-07 | — | — | CN | disclosed |
| CN-106187656-A | The method of magnesium auxiliary nickel catalysis polyfluoro aromatic hydrocarbons list arylation | 陕西师范大学 | 2016-12-07 | — | — | CN | disclosed |