Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL12293237 | 0.84 | CYP17A1 (0.35) | ADRA1ACYP17A1CYP1A2 | |
| SCHEMBL21539535 | 0.81 | ADRA1A (0.34) | ADRA1ACYP17A1CYP1A2ESR1 | |
| SCHEMBL28282894 | 0.79 | SLC6A2 (0.38) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL15511960 | 0.78 | NR3C2 (0.35) | SLC6A2SLC6A4SLC6A3ADRA1A | |
| SCHEMBL30814588 | 0.75 | ESR1 (0.36) | ADRA1ACYP17A1CYP1A2ESR1 | |
| SCHEMBL15710166 | 0.75 | ADRA1A (0.35) | ADRA1ACYP17A1CYP1A2ESR1 | |
| SCHEMBL15072856 | 0.75 | MAPK1 (0.46) | ADRA1ACYP17A1CYP1A2PTGS2ESR1 | |
| SCHEMBL23138137 | 0.75 | ACHE (0.34) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31446067 | 0.75 | NOTUM (0.40) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL27995724 | 0.73 | MAPK1 (0.41) | — |
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-1930129-A | N1- ((pyrazol-1-ylmethyl) -2-methylphenyl) -phthalamide derivative and related compound insecticide | BAYER CROPSCIENCE AG (DE) | 2007-03-14 | — | — | CN | disclosed |