Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 6/20 | 0.35 |
| ▸ | ESR1 | P03372 | 5/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.30 |
| ▸ | MITF | O75030 | 1/20 | 0.30 |
| ▸ | KLF5 | Q13887 | 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 | |
|---|---|---|---|---|
| SCHEMBL1709427 | 1.00 | ESR2 (0.35) | ESR2ESR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10033138 | 0.89 | SIGMAR1 (0.42) | SIGMAR1KDM1AGPR88 | |
| SCHEMBL1709443 | 0.86 | HTR2C (0.34) | SIGMAR1KDM1AMAOAMAOB | |
| SCHEMBL1709403 | 0.86 | HTR2C (0.34) | SIGMAR1KDM1AMAOAMAOB | |
| SCHEMBL1709404 | 0.86 | HTR2C (0.34) | SIGMAR1KDM1AMAOAMAOB | |
| SCHEMBL1709494 | 0.85 | HTR2C (0.35) | KDM1AMAOAMAOB | |
| SCHEMBL10033141 | 0.85 | ACHE (0.31) | — | |
| SCHEMBL10033139 | 0.82 | SIGMAR1 (0.39) | SIGMAR1KDM1AMAOAMAOB | |
| SCHEMBL1709411 | 0.82 | SIGMAR1 (0.31) | SIGMAR1 | |
| SCHEMBL10033140 | 0.81 | OPRM1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012046771-A1 | CYCLOALKANE COMPOUND | アステラス製薬株式会社 (JP) | 2012-04-12 | — | — | WO | disclosed |