Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 14/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 8/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 8/20 | 0.43 |
| ▸ | USP2 | O75604 | 7/20 | 0.43 |
| ▸ | TSHR | P16473 | 7/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5655 | 0.84 | CYP3A4 (0.40) | CYP3A4CYP1A2CYP2C19USP2TSHR | |
| SCHEMBL5667 | 0.83 | CYP3A4 (0.37) | CYP3A4CYP1A2CYP2C19USP2TSHR | |
| SCHEMBL5834 | 0.81 | S1PR1 (0.37) | CYP3A4CYP1A2CYP2C19USP2TSHR | |
| SCHEMBL10488 | 0.76 | LIPE (0.54) | — | |
| SCHEMBL10489 | 0.76 | LIPE (0.54) | — | |
| SCHEMBL12702112 | 0.76 | LIPE (0.54) | — | |
| SCHEMBL28914522 | 0.72 | ALDH1A1 (0.45) | CYP2C19CYP2C9ALDH1A1MEN1KMT2A | |
| SCHEMBL5287 | 0.72 | CHRM4 (0.44) | — | |
| SCHEMBL12058 | 0.71 | LIPE (0.42) | CYP3A4CYP1A2CYP2C19USP2CYP2C9 | |
| SCHEMBL4962 | 0.70 | RYR2 (0.41) | CYP3A4CYP1A2CYP2C19USP2TSHR |
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 |