Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RYR2 | Q92736 | 1/20 | 0.41 |
| ▸ | FFAR4 | Q5NUL3 | 2/20 | 0.41 |
| ▸ | LIPE | Q05469 | 1/20 | 0.39 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.38 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.37 |
| ▸ | USP2 | O75604 | 6/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | MEN1 | O00255 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5485 | 0.93 | RYR2 (0.45) | RYR2FFAR4ITGB3ITGA2BCYP3A4 | |
| SCHEMBL5639 | 0.85 | S1PR1 (0.41) | LIPECYP3A4CYP2C19TSHRALDH1A1 | |
| SCHEMBL5614 | 0.81 | LIPE (0.60) | FFAR4LIPE | |
| SCHEMBL5651 | 0.77 | LIPE (0.38) | LIPEITGB3ITGA2BCYP3A4CYP2C19 | |
| SCHEMBL5924 | 0.76 | ITGB3 (0.38) | LIPEITGB3ITGA2BCYP3A4CYP2C19 | |
| SCHEMBL1589050 | 0.76 | LIPE (0.69) | LIPE | |
| SCHEMBL1589049 | 0.76 | LIPE (0.69) | LIPE | |
| SCHEMBL5406 | 0.75 | KCNJ1 (0.39) | LIPEITGB3ITGA2BCYP3A4CYP2C19 | |
| SCHEMBL12058 | 0.74 | LIPE (0.42) | LIPEITGB3ITGA2BCYP3A4CYP2C19 | |
| SCHEMBL12072 | 0.73 | KCNJ1 (0.36) | LIPEITGB3ITGA2BACACB |
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 |