Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 8/20 | 0.37 |
| ▸ | ESR1 | P03372 | 6/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | GRM2 | Q14416 | 2/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 2/20 | 0.32 |
| ▸ | DRD2 | P14416 | 2/20 | 0.32 |
| ▸ | HTR2A | P28223 | 2/20 | 0.32 |
| ▸ | DRD3 | P35462 | 2/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | MAP1LC3B | Q9GZQ8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8835367 | 0.96 | ESR2 (0.34) | ESR2ESR1CYP2C9CYP3A4GRM2 | |
| SCHEMBL8835162 | 0.85 | ESR2 (0.40) | ESR2ESR1CYP2C9CYP3A4CYP2D6 | |
| SCHEMBL8835460 | 0.84 | CCR2 (0.34) | ESR2ESR1CYP2C9CYP3A4HTR2A | |
| SCHEMBL8835194 | 0.84 | HTR2C (0.46) | ESR2ESR1CYP2C9CYP3A4GRM2 | |
| SCHEMBL11308480 | 0.83 | ESR2 (0.41) | ESR2ESR1CYP2C9CYP3A4GRM2 | |
| SCHEMBL9479280 | 0.82 | ESR2 (0.40) | ESR2ESR1CYP2C9CYP3A4GRM2 | |
| SCHEMBL9479291 | 0.82 | ESR2 (0.40) | ESR2ESR1CYP2C9CYP3A4GRM2 | |
| SCHEMBL9479287 | 0.82 | ESR2 (0.40) | ESR2ESR1CYP2C9CYP3A4GRM2 | |
| SCHEMBL9479295 | 0.82 | ESR2 (0.40) | ESR2ESR1CYP2C9CYP3A4GRM2 | |
| SCHEMBL8834906 | 0.82 | CYP2C9 (0.38) | ESR2ESR1CYP2C9CYP3A4CYP2D6 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5662830-A | Diene derivative | CHISSO CORPORATION (JP) | 1997-09-02 | — | — | US | disclosed |
| US-5609791-A | Diene derivative | CHISSO CORPORATION (JP) | 1997-03-11 | — | — | US | disclosed |
| EP-0563982-B1 | Polycyclic diene derivatives | CHISSO CORP (JP) | 1996-07-17 | — | — | EP | disclosed |
| US-5449810-A | Diene derivative | CHISSO CORPORATION (JP) | 1995-09-12 | — | — | US | disclosed |
| EP-0563982-A2 | Polycyclic diene derivatives | Chisso Corporation (JP) | 1993-10-06 | — | — | EP | disclosed |