Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.47 |
| ▸ | HSD11B1 | P28845 | 9/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.39 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.36 |
| ▸ | LIG1 | P18858 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| Formic Acid Methyl Ester SCHEMBL28100918 | 0.83 | HSD11B1 (0.39) | ESR1ESR2HSD11B1ALDH1A1L3MBTL1 | |
| Formic Acid SCHEMBL28280773 | 0.82 | HSD11B1 (0.41) | HSD11B1SLC6A3SLC6A4LIG1SLC6A2 | |
| SCHEMBL19093772 | 0.81 | ESR1 (0.60) | ESR1ESR2HSD11B1ALDH1A1L3MBTL1 | |
| SCHEMBL12893183 | 0.76 | ESR1 (0.80) | ESR1ESR2HSD11B1ALDH1A1L3MBTL1 | |
| SCHEMBL1257259 | 0.76 | ESR1 (0.80) | ESR1ESR2HSD11B1ALDH1A1L3MBTL1 | |
| SCHEMBL17931720 | 0.75 | ESR1 (0.50) | ESR1ESR2HSD11B1ALDH1A1L3MBTL1 | |
| Formic Acid SCHEMBL27369254 | 0.75 | CES2 (0.50) | HSD11B1ALDH1A1 | |
| SCHEMBL12020399 | 0.73 | LIG1 (0.41) | HSD11B1DAOSLC6A3HSD11B2SLC6A4 | |
| SCHEMBL17931728 | 0.73 | ESR1 (0.52) | ESR1ESR2HSD11B1ALDH1A1L3MBTL1 | |
| SCHEMBL10676298 | 0.71 | MEN1 (0.63) | ESR1ESR2HSD11B1ALDH1A1L3MBTL1 |
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-105916855-A | Substituted 4,5,6, 7-tetrahydropyrazolo [1,5-a ] pyrazine derivatives as casein kinase 1D/E inhibitors | 百时美施贵宝公司 | 2016-08-31 | — | — | CN | disclosed |