Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.34 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.32 |
| ▸ | HTR2B | P41595 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.30 |
| ▸ | PGR | P06401 | 1/20 | 0.30 |
| ▸ | ESRRA | P11474 | 1/20 | 0.30 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.30 |
| ▸ | PPARG | P37231 | 1/20 | 0.30 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.30 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.30 |
| ▸ | SIRT5 | Q9NXA8 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL5854261 | 0.94 | ESR1 (0.34) | ESR1TMEM97HTR2BSIGMAR1NR1I2 | |
| SCHEMBL5854386 | 0.92 | ESR1 (0.33) | ESR1TMEM97HTR2BSIGMAR1NR1I2 | |
| SCHEMBL7588501 | 0.89 | ESR1 (0.34) | ESR1TMEM97HTR2BSIGMAR1NR1I2 | |
| SCHEMBL7589349 | 0.89 | ESR1 (0.34) | ESR1TMEM97HTR2BSIGMAR1NR1I2 | |
| SCHEMBL5854250 | 0.85 | TMEM97 (0.30) | ESR1TMEM97NR1I2NR3C1PGR | |
| SCHEMBL5854257 | 0.84 | ESR1 (0.31) | ESR1 | |
| SCHEMBL5855127 | 0.84 | ESR1 (0.34) | ESR1NR1I2NR3C1PGRESRRA | |
| SCHEMBL5856278 | 0.84 | ESR1 (0.33) | ESR1TMEM97HTR2BSIGMAR1NR1I2 | |
| SCHEMBL7589074 | 0.84 | ESR1 (0.36) | ESR1ESR2CYP3A4ALOX15 | |
| SCHEMBL5854246 | 0.83 | ESR1 (0.33) | ESR1TMEM97NR1I2NR3C1PGR |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7074819-B2 | Benzopyran or thiobenzopyran derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2006-07-11 | — | — | US | disclosed |
| US-6645951-B1 | Antiestrogens for treating breast cancer | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 2003-11-11 | — | — | US | disclosed |