Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR2 | Q92731 | 1/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | USP2 | O75604 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL5924 | 0.83 | ITGB3 (0.38) | ESR2ITGB3ITGA2BCYP3A4CYP2C19 | |
| SCHEMBL5381 | 0.82 | CYP3A4 (0.39) | ITGB3ITGA2BCYP3A4CYP2C19HIF1A | |
| SCHEMBL5843 | 0.80 | ITGB3 (0.37) | ITGB3ITGA2BCYP3A4CYP2C19HIF1A | |
| SCHEMBL1957562 | 0.79 | CYP2D6 (0.54) | CYP3A4CYP2C19HIF1AALDH1A1CYP1A2 | |
| SCHEMBL5474 | 0.78 | ITGB3 (0.36) | ITGB3ITGA2BCYP3A4CYP2C19HIF1A | |
| SCHEMBL5019 | 0.74 | SLC6A4 (0.49) | — | |
| SCHEMBL1959401 | 0.74 | KMT2A (0.52) | MEN1KMT2ASLC18A3 | |
| SCHEMBL1959932 | 0.72 | KCNH2 (0.38) | CYP3A4CYP2C19HIF1AALDH1A1CYP1A2 | |
| SCHEMBL2635048 | 0.71 | HRH3 (0.64) | HRH3 | |
| SCHEMBL1962030 | 0.71 | KCNH2 (0.60) | CYP3A4CYP2C19CYP1A2MEN1KMT2A |
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 | claimed |
| 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 | claimed |