Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 9/20 | 0.44 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | LIPE | Q05469 | 2/20 | 0.41 |
| ▸ | PKLR | P30613 | 1/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5614 | 0.82 | LIPE (0.60) | LIPEEPHX2 | |
| SCHEMBL5019 | 0.80 | SLC6A4 (0.49) | CHRM4LIPEEPHX2 | |
| SCHEMBL748074 | 0.77 | GRM5 (0.55) | CHRM4EPHX2 | |
| SCHEMBL622213 | 0.77 | FFAR4 (0.46) | EPHX2 | |
| SCHEMBL5301 | 0.77 | EPHX2 (0.42) | LIPEEPHX2 | |
| SCHEMBL5663 | 0.76 | LIPE (0.70) | LIPE | |
| SCHEMBL1589109 | 0.76 | LIPE (0.70) | LIPE | |
| SCHEMBL5662 | 0.76 | LIPE (0.70) | LIPE | |
| SCHEMBL26552871 | 0.76 | ALDH1A1 (0.47) | EPHX2 | |
| SCHEMBL743517 | 0.75 | MAPK1 (0.54) | EPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2488493-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. Hoffmann-La Roche AG (CH) | 2012-08-22 | — | — | EP | disclosed |
| WO-2011045292-A1 | SPIRO-CONDENSED CYCLOHEXANE DERIVATIVES AS HSL INHIBITORS USEFUL FOR THE TREATMENT OF DIABETES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-04-21 | — | — | WO | disclosed |