Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LIPE | Q05469 | 4/20 | 0.44 |
| ▸ | FFAR4 | Q5NUL3 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 10/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | USP2 | O75604 | 5/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 5/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5611 | 0.85 | CYP3A4 (0.40) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL5569 | 0.83 | USP2 (0.41) | LIPEFFAR4CYP3A4CYP2C19TSHR | |
| SCHEMBL5655 | 0.81 | CYP3A4 (0.40) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL5989 | 0.81 | CYP3A4 (0.40) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL5381 | 0.80 | CYP3A4 (0.39) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL6125 | 0.78 | FFAR4 (0.41) | LIPEFFAR4CYP3A4CYP2C19TSHR | |
| SCHEMBL5391 | 0.75 | CYP3A4 (0.35) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL5081 | 0.75 | SIGMAR1 (0.41) | LIPEFFAR4CYP3A4CYP2C19TSHR | |
| SCHEMBL1589755 | 0.74 | LIPE (0.76) | LIPE | |
| SCHEMBL1589752 | 0.74 | LIPE (0.76) | LIPE |
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 |