Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.45 |
| ▸ | CNR1 | P21554 | 2/20 | 0.37 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | FASN | P49327 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 2/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | TNKS | O95271 | 3/20 | 0.32 |
| ▸ | PARP1 | P09874 | 3/20 | 0.32 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL20749303 | 0.96 | ESR2 (0.41) | ESR2CNR1CNR2HSD11B1SLC6A3 | |
| SCHEMBL9763893 | 0.91 | ESR2 (0.50) | ESR2CNR1CNR2HSD11B1FASN | |
| SCHEMBL4434770 | 0.91 | ESR2 (0.50) | ESR2CNR1CNR2HSD11B1FASN | |
| SCHEMBL4438458 | 0.86 | ESR2 (0.46) | ESR2CNR1CNR2HSD11B1FASN | |
| SCHEMBL4432796 | 0.86 | ESR2 (0.49) | ESR2CNR1CNR2HSD11B1SLC6A3 | |
| SCHEMBL19493538 | 0.85 | ESR2 (0.45) | ESR2FASNNPC1RAB9ACYP3A4 | |
| SCHEMBL4434479 | 0.84 | ESR2 (0.47) | ESR2CNR1CNR2HSD11B1SLC6A3 | |
| SCHEMBL22329052 | 0.84 | ESR2 (0.47) | ESR2CNR1CNR2HSD11B1SLC6A3 | |
| SCHEMBL20805203 | 0.84 | ESR2 (0.44) | ESR2FASNNPC1RAB9ACYP3A4 | |
| SCHEMBL19159740 | 0.84 | ESR2 (0.44) | ESR2FASNNPC1RAB9ACYP3A4 |
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-2594548-B1 | CYCLOHEXANE COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING SAID COMPOUND | ORGANO SCIENCE CO LTD (JP) | 2017-06-14 | — | — | EP | disclosed |