Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 12/20 | 0.45 |
| ▸ | ESR2 | Q92731 | 12/20 | 0.45 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.40 |
| ▸ | IGF1R | P08069 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5709365 | 0.90 | SRD5A1 (0.45) | SRD5A1KDM1ASRD5A2CYP17A1CYP3A4 | |
| Methylamine SCHEMBL27525680 | 0.85 | ESR1 (0.50) | ESR1ESR2CYP19A1 | |
| SCHEMBL24899246 | 0.83 | KDM1A (0.49) | SRD5A1KDM1ASRD5A2CYP17A1CYP3A4 | |
| SCHEMBL27909263 | 0.83 | KDM1A (0.49) | SRD5A1KDM1ASRD5A2CYP17A1CYP3A4 | |
| SCHEMBL22072985 | 0.83 | KDM1A (0.49) | SRD5A1KDM1ASRD5A2CYP17A1CYP3A4 | |
| Alcohol SCHEMBL27680722 | 0.81 | CYP3A4 (0.50) | CYP17A1CYP3A4CYP11B1CYP11B2 | |
| SCHEMBL8528887 | 0.81 | CYP3A4 (0.52) | ESR1ESR2SRD5A1CYP17A1CYP3A4 | |
| SCHEMBL9418172 | 0.80 | ESR1 (0.56) | ESR1ESR2CYP19A1CYP17A1CYP3A4 | |
| SCHEMBL8224504 | 0.80 | IGF1R (0.55) | ESR1ESR2CYP19A1IGF1RALOX15 | |
| SCHEMBL8938850 | 0.78 | IGF1R (0.61) | KDM1ACYP3A4IGF1RALOX15 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0877730-A1 | ARYL ACRYLICS FOR USE AS FUNGICIDE | MONSANTO COMPANY (US) | 1998-11-18 | — | — | EP | disclosed |
| US-5739140-A | AGRICULTURAL FUNGICIDES | MONSANTO COMPANY (US) | 1998-04-14 | — | — | US | disclosed |
| WO-1997016413-A9 | ARYL ACRYLICS FOR USE AS FUNGICIDE | — | 1997-08-14 | — | — | WO | disclosed |
| WO-1997016413-A1 | ARYL ACRYLICS FOR USE AS FUNGICIDE | MONSANTO COMPANY (US) | 1997-05-09 | — | — | WO | disclosed |