Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 7/20 | 0.60 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | CTSB | P07858 | 1/20 | 0.39 |
| ▸ | CTSS | P25774 | 1/20 | 0.39 |
| ▸ | CTSK | P43235 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | KCNA5 | P22460 | 1/20 | 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 | 0.84 | SLC6A4 (0.49) | LIPEEPHX2KCNH2SLC6A4SLC6A3 | |
| SCHEMBL5287 | 0.82 | CHRM4 (0.44) | LIPEEPHX2 | |
| SCHEMBL5301 | 0.81 | EPHX2 (0.42) | LIPEEPHX2KCNH2FFAR4SLC6A4 | |
| SCHEMBL5651 | 0.81 | LIPE (0.38) | LIPE | |
| SCHEMBL4962 | 0.81 | RYR2 (0.41) | LIPEFFAR4 | |
| SCHEMBL26552871 | 0.80 | ALDH1A1 (0.47) | EPHX2KCNH2SLC6A4 | |
| SCHEMBL5639 | 0.79 | S1PR1 (0.41) | LIPEKCNH2 | |
| SCHEMBL5741 | 0.77 | EPHX2 (0.37) | LIPEEPHX2KCNH2CTSBCTSS | |
| SCHEMBL5924 | 0.77 | ITGB3 (0.38) | LIPESLC6A4SLC6A3 | |
| SCHEMBL12058 | 0.77 | LIPE (0.42) | LIPEEPHX2CTSBCTSSCTSK |
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 |