Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CES2 | O00748 | 4/20 | 0.37 |
| ▸ | CES1 | P23141 | 4/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.34 |
| ▸ | PPARG | P37231 | 7/20 | 0.34 |
| ▸ | PPARD | Q03181 | 7/20 | 0.34 |
| ▸ | PPARA | Q07869 | 7/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.34 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.34 |
| ▸ | TLR2 | O60603 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | FABP4 | P15090 | 2/20 | 0.34 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.34 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19993319 | 0.93 | ALDH1A1 (0.42) | TSHRALDH1A1CES2CES1TP53 | |
| SCHEMBL7494088 | 0.77 | TSHR (0.48) | TSHRALDH1A1CES2CES1AKR1B1 | |
| SCHEMBL7494096 | 0.77 | TSHR (0.48) | TSHRALDH1A1CES2CES1AKR1B1 | |
| SCHEMBL10724304 | 0.76 | TSHR (0.46) | TSHRALDH1A1CES2CES1GPR84 | |
| SCHEMBL7972907 | 0.75 | — | — | |
| SCHEMBL7972905 | 0.75 | — | — | |
| SCHEMBL13517882 | 0.71 | TSHR (0.52) | TSHRALDH1A1CES2CES1GPR84 | |
| SCHEMBL9304891 | 0.71 | — | — | |
| SCHEMBL28153483 | 0.71 | TSHR (0.52) | TSHRALDH1A1CES2CES1GPR84 | |
| SCHEMBL11607568 | 0.71 | TSHR (0.52) | TSHRALDH1A1CES2CES1GPR84 |
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-0018532-A1 | 1-Aryl-4-methyl-penta-1,2-dienes, process for their preparation and their use for the preparation of 3-(2-aryl-vinyl)-2,2-dimethylcyclopropane-1-carboxylates | BAYER AG (DE) | 1980-11-12 | — | — | EP | disclosed |