Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 9/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.40 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.39 |
| ▸ | ACACB | O00763 | 1/20 | 0.37 |
| ▸ | CTSB | P07858 | 1/20 | 0.37 |
| ▸ | CTSS | P25774 | 1/20 | 0.37 |
| ▸ | CTSK | P43235 | 1/20 | 0.37 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.36 |
| ▸ | CACNA2D2 | Q9NY47 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | USP2 | O75604 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5578 | 0.82 | LIPE (0.34) | LIPEITGB3ITGA2BCTSBCTSS | |
| SCHEMBL5614 | 0.77 | LIPE (0.60) | LIPEEPHX2CTSBCTSSCTSK | |
| SCHEMBL1590028 | 0.75 | LIPE (0.64) | LIPE | |
| SCHEMBL4918 | 0.75 | LIPE (0.64) | LIPE | |
| SCHEMBL4917 | 0.75 | LIPE (0.64) | LIPE | |
| SCHEMBL4962 | 0.74 | RYR2 (0.41) | LIPEITGB3ITGA2BACACBMEN1 | |
| SCHEMBL5485 | 0.72 | RYR2 (0.45) | ITGB3ITGA2BMEN1USP2ALDH1A1 | |
| SCHEMBL5019 | 0.72 | SLC6A4 (0.49) | LIPEEPHX2 | |
| SCHEMBL5680 | 0.71 | CYP3A4 (0.43) | MEN1USP2ALDH1A1CYP3A4CYP2C9 | |
| SCHEMBL5287 | 0.70 | CHRM4 (0.44) | LIPEEPHX2 |
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 |