Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 6/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | LIPE | Q05469 | 1/20 | 0.32 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.32 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.32 |
| ▸ | RORC | P51449 | 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 | |
|---|---|---|---|---|
| SCHEMBL5578 | 0.78 | LIPE (0.34) | USP2CYP3A4ALDH1A1CYP1A2CYP2C19 | |
| SCHEMBL746750 | 0.74 | CYP3A4 (0.44) | USP2CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL1589633 | 0.71 | LIPE (0.46) | LIPE | |
| SCHEMBL22466178 | 0.66 | ALDH1A1 (0.48) | USP2CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL30330141 | 0.65 | ADRB1 (0.52) | USP2ALDH1A1HSD17B10TSHR | |
| SCHEMBL364099 | 0.65 | SLC6A2 (0.44) | USP2CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL747930 | 0.64 | LIPE (0.44) | USP2CYP3A4CYP2D6ALDH1A1CYP1A2 | |
| SCHEMBL18357721 | 0.63 | CHRM4 (0.41) | KCNH2ALDH1A1TSHR | |
| SCHEMBL20345536 | 0.63 | CHRM4 (0.41) | KCNH2ALDH1A1TSHR | |
| SCHEMBL7670360 | 0.61 | ESR1 (0.38) | CYP3A4ALDH1A1CYP1A2CYP2C19TSHR |
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 |