Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.55 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | ESR1 | P03372 | 2/20 | 0.52 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.50 |
| ▸ | POLB | P06746 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | TYR | P14679 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTR1D | P28221 | 2/20 | 0.43 |
| ▸ | HTR1B | P28222 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL201609 | 0.97 | GABRA1 (0.57) | GABRA1GABRB2CA2CA1ESR1 | |
| Dimethylamine SCHEMBL8990212 | 0.90 | GABRA1 (0.50) | GABRA1GABRB2CA2CA1ESR1 | |
| SCHEMBL931756 | 0.84 | ALDH1A1 (0.50) | GABRA1GABRB2CA2CA1ESR1 | |
| SCHEMBL19732817 | 0.84 | GABRA1 (0.50) | GABRA1GABRB2CA2CA1ESR1 | |
| SCHEMBL675962 | 0.82 | CA2 (0.58) | GABRA1GABRB2CA2CA1ESR1 | |
| SCHEMBL92890 | 0.82 | CYP2C9 (0.68) | GABRA1GABRB2CA2CA1ESR1 | |
| SCHEMBL29836296 | 0.82 | CYP2C9 (0.68) | GABRA1GABRB2CA2CA1ESR1 | |
| SCHEMBL18746058 | 0.82 | CHEK1 (0.50) | GABRA1GABRB2CA2CA1ESR1 | |
| SCHEMBL2474087 | 0.80 | GABRA1 (0.46) | GABRA1GABRB2CA2CA1ESR1 | |
| SCHEMBL2476258 | 0.80 | TSHR (0.58) | GABRA1GABRB2CA2CA1ESR1 |
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-106458824-A | Process for preparing an unsaturated carboxylic acid salt using an aryloxide | 巴斯夫欧洲公司 | 2017-02-22 | — | — | CN | disclosed |
| CN-106458823-A | Process for preparing unsaturated carboxylic acid salts | 巴斯夫欧洲公司 | 2017-02-22 | — | — | CN | disclosed |