Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 0.38 |
| ▸ | NAAA | Q02083 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | STS | P08842 | 4/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.34 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.34 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | MMP12 | P39900 | 1/20 | 0.33 |
| ▸ | FABP7 | O15540 | 1/20 | 0.33 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2999385 | 0.84 | EPHX1 (0.54) | EPHX1CYP2C19CA1CA2CA12 | |
| SCHEMBL11591531 | 0.82 | EPHX1 (0.50) | EPHX1CYP2C19CA1CA2CA12 | |
| SCHEMBL6030789 | 0.80 | EPHX1 (0.47) | EPHX1CYP2C19CA1CA2CA12 | |
| SCHEMBL28110614 | 0.80 | EPHX1 (0.50) | EPHX1CYP2C19CA1CA2CA12 | |
| SCHEMBL113152 | 0.80 | EPHX1 (0.50) | EPHX1CYP2C19CA1CA2CA12 | |
| SCHEMBL1416705 | 0.80 | EPHX1 (0.50) | EPHX1CYP2C19CA1CA2CA12 | |
| SCHEMBL1416449 | 0.80 | EPHX1 (0.50) | EPHX1CYP2C19CA1CA2CA12 | |
| SCHEMBL6623051 | 0.79 | EPHX1 (0.48) | EPHX1CYP2C19CA1CA2CA12 | |
| SCHEMBL669343 | 0.78 | EPHX1 (0.45) | EPHX1CYP2C19CA1CA2CA12 | |
| Ammonia Solution, Strong SCHEMBL3387866 | 0.78 | EPHX1 (0.48) | EPHX1CYP2C19CA1CA2CA12 |
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-1048718-C | Phenylethylamine and amphetamine compounds, preparation method thereof, pharmaceutical preparation thereof and application thereof | ASTRA AB (SE) | 2000-01-26 | — | — | CN | disclosed |
| CN-1115575-A | Novel phenylethylamines and phenylpropylamines | ASTRA AB (SE) | 1996-01-24 | — | — | CN | disclosed |