Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.31 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL8040068 | 1.00 | ESR1 (0.32) | ESR1ESR2TRPA1SLC6A4MAOA | |
| SCHEMBL11071507 | 0.81 | PTGS1 (0.42) | ESR1 | |
| SCHEMBL6771848 | 0.77 | SIGMAR1 (0.41) | TAAR1 | |
| SCHEMBL15161169 | 0.76 | TP53 (0.42) | ESR1ESR2TRPA1TAAR1 | |
| SCHEMBL28734578 | 0.74 | SLC6A4 (0.39) | ESR1ESR2TRPA1SLC6A4MAOA | |
| SCHEMBL5838111 | 0.74 | IDO1 (0.42) | ESR1ESR2TRPA1TAAR1 | |
| SCHEMBL154352 | 0.73 | TP53 (0.43) | TRPA1TAAR1 | |
| SCHEMBL24568712 | 0.72 | CYP1A2 (0.53) | ESR1ESR2TRPA1TAAR1 | |
| SCHEMBL6643827 | 0.72 | SLC6A2 (0.39) | ESR1ESR2TRPA1SLC6A4MAOA | |
| SCHEMBL19420331 | 0.72 | TRPA1 (0.39) | ESR1ESR2TRPA1SLC6A4TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0687678-A1 | Cyclohexanone compounds, process for preparing the same, and processes for preparing silacyclohexane-based liquid crystal compounds from the cyclohexanone compounds | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 1995-12-20 | — | — | EP | disclosed |