Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.30 |
| ▸ | HTR2B | P41595 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 4/20 | 0.30 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.30 |
| ▸ | MAOB | P27338 | 2/20 | 0.30 |
| ▸ | RCOR1 | Q9UKL0 | 2/20 | 0.30 |
| ▸ | KDM1B | Q8NB78 | 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 | |
|---|---|---|---|---|
| SCHEMBL6452610 | 1.00 | ESR2 (0.32) | ESR2CYP2C9HTR2CHTR2BESR1 | |
| SCHEMBL6455957 | 0.87 | CYP2C9 (0.34) | ESR2CYP2C9HTR2CHTR2BESR1 | |
| SCHEMBL6455952 | 0.87 | CYP2C9 (0.34) | ESR2CYP2C9HTR2CHTR2BESR1 | |
| SCHEMBL6454999 | 0.86 | SLC6A3 (0.33) | ESR2CYP2C9ESR1CYP3A4KDM1A | |
| SCHEMBL6455002 | 0.86 | SLC6A3 (0.33) | ESR2CYP2C9ESR1CYP3A4KDM1A | |
| SCHEMBL6457691 | 0.86 | ESR2 (0.32) | ESR2CYP2C9HTR2CHTR2BESR1 | |
| SCHEMBL6457695 | 0.86 | ESR2 (0.32) | ESR2CYP2C9HTR2CHTR2BESR1 | |
| SCHEMBL6459255 | 0.86 | ESR2 (0.32) | ESR2CYP2C9ESR1CYP3A4 | |
| SCHEMBL6459259 | 0.86 | ESR2 (0.32) | ESR2CYP2C9ESR1CYP3A4 | |
| SCHEMBL6454932 | 0.85 | ALOX5 (0.32) | ESR2CYP2C9 |
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-6913797-B1 | Decahydronaphthalene derivative | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2005-07-05 | — | — | US | disclosed |
| EP-1108700-A1 | DECAHYDRONAPHTHALENE DERIVATIVE | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2001-06-20 | — | — | EP | disclosed |