Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 7/20 | 0.47 |
| ▸ | ESR2 | Q92731 | 7/20 | 0.47 |
| ▸ | EPHX2 | P34913 | 7/20 | 0.45 |
| ▸ | PPARG | P37231 | 4/20 | 0.45 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | MIF | P14174 | 1/20 | 0.41 |
| ▸ | PPARA | Q07869 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3870170 | 0.85 | ESR1 (0.61) | ESR1ESR2EPHX2PPARGMIF | |
| SCHEMBL3662079 | 0.85 | ESR1 (0.61) | ESR1ESR2EPHX2PPARGMIF | |
| SCHEMBL13078733 | 0.85 | ESR1 (0.61) | ESR1ESR2EPHX2PPARGMIF | |
| SCHEMBL27544198 | 0.83 | ESR1 (0.47) | ESR1ESR2EPHX2PPARGSLC7A5 | |
| SCHEMBL28684314 | 0.82 | ESR1 (0.46) | ESR1ESR2EPHX2PPARGSLC7A5 | |
| SCHEMBL13821895 | 0.81 | ESR1 (0.45) | ESR1ESR2EPHX2PPARGSLC7A5 | |
| SCHEMBL3876493 | 0.79 | CYP1A2 (0.59) | ESR1ESR2EPHX2PPARGSLC7A5 | |
| SCHEMBL3661382 | 0.79 | CYP1A2 (0.59) | ESR1ESR2EPHX2PPARGSLC7A5 | |
| SCHEMBL6379983 | 0.79 | CYP1A2 (0.59) | ESR1ESR2EPHX2PPARGSLC7A5 | |
| SCHEMBL1709323 | 0.77 | ESR1 (0.51) | ESR1ESR2PPARGSLC7A5TAAR1 |
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-1922165-A | 3-(4-benzyloxyphenyl)propanoic acid derivative | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 2007-02-28 | — | — | CN | disclosed |