Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 6/20 | 0.42 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | FFAR4 | Q5NUL3 | 5/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.39 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.39 |
| ▸ | LIPE | Q05469 | 3/20 | 0.39 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5019 | 0.86 | SLC6A4 (0.49) | EPHX2KCNH2SLC6A4LIPEKCNA5 | |
| SCHEMBL4617 | 0.84 | CYP3A4 (0.42) | — | |
| SCHEMBL5569 | 0.84 | USP2 (0.41) | FFAR4LIPE | |
| SCHEMBL26552871 | 0.82 | ALDH1A1 (0.47) | EPHX2KCNH2SLC6A4SLC6A2 | |
| SCHEMBL5614 | 0.81 | LIPE (0.60) | EPHX2KCNH2FFAR4SLC6A4LIPE | |
| SCHEMBL11842 | 0.81 | LIPE (0.35) | LIPE | |
| SCHEMBL5548 | 0.80 | CYP3A4 (0.36) | — | |
| SCHEMBL5888 | 0.79 | EPHX2 (0.49) | EPHX2FFAR4SLC6A4LIPESLC6A3 | |
| SCHEMBL5287 | 0.77 | CHRM4 (0.44) | EPHX2LIPE | |
| SCHEMBL24227415 | 0.77 | USP2 (0.46) | EPHX2KCNH2FFAR4SLC6A4SLC6A2 |
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 |