Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | USP2 | O75604 | 4/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LIPE | Q05469 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.34 |
| ▸ | ITGA2B | P08514 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL5667 | 0.90 | CYP3A4 (0.37) | S1PR1CYP3A4CYP2C9CYP1A2ALDH1A1 | |
| SCHEMBL5655 | 0.86 | CYP3A4 (0.40) | S1PR1CYP3A4CYP2C9CYP1A2ALDH1A1 | |
| SCHEMBL5474 | 0.85 | ITGB3 (0.36) | CYP3A4CYP2C9CYP1A2ALDH1A1USP2 | |
| SCHEMBL5680 | 0.81 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP1A2ALDH1A1USP2 | |
| SCHEMBL5843 | 0.75 | ITGB3 (0.37) | CYP3A4CYP2C9CYP1A2ALDH1A1USP2 | |
| SCHEMBL5639 | 0.75 | S1PR1 (0.41) | S1PR1CYP3A4CYP2C9CYP1A2ALDH1A1 | |
| SCHEMBL9998 | 0.74 | LIPE (0.60) | S1PR1LIPEITGB3ITGA2B | |
| SCHEMBL9997 | 0.74 | LIPE (0.60) | S1PR1LIPEITGB3ITGA2B | |
| SCHEMBL13849672 | 0.71 | KDM4E (0.42) | CYP3A4CYP2C9CYP1A2ALDH1A1USP2 | |
| SCHEMBL5611 | 0.71 | CYP3A4 (0.40) | CYP3A4CYP2C9CYP1A2ALDH1A1USP2 |
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 |