Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.48 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 5/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | AR | P10275 | 2/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | XBP1 | P17861 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9861334 | 0.98 | ESR1 (0.47) | ESR1ESR2CA1CA2PTGS1 | |
| SCHEMBL9861946 | 0.85 | CYP2C9 (0.52) | ESR1ESR2CA1CA2PTGS1 | |
| SCHEMBL22032589 | 0.81 | ERN1 (0.42) | ESR1ESR2CYP1A2CYP2C9CYP3A4 | |
| SCHEMBL2837831 | 0.80 | ESR1 (0.45) | ESR1ESR2CA1CA2PTGS1 | |
| SCHEMBL698233 | 0.78 | POLB (0.46) | CYP3A4ALDH1A1 | |
| SCHEMBL697862 | 0.78 | ESR1 (0.43) | ESR1ESR2CA1CA2PTGS1 | |
| SCHEMBL11312709 | 0.78 | ESR1 (0.48) | ESR1ESR2CA1CA2PTGS1 | |
| SCHEMBL9861387 | 0.77 | CYP2C19 (0.43) | ESR1ESR2CA1CA2CYP1A2 | |
| SCHEMBL21166947 | 0.77 | PGK1 (0.42) | LMNA | |
| SCHEMBL5958687 | 0.77 | POLB (0.45) | CYP3A4ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-2423188-A1 | Agricultural/Horticultural Insecticide and Method for Using the Same | MITSUI CHEMICALS AGRO, INC. (JP) | 2012-02-29 | — | — | EP | disclosed |