Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 6/20 | 0.37 |
| ▸ | FFAR4 | Q5NUL3 | 4/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | LIPE | Q05469 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | MMP7 | P09237 | 1/20 | 0.34 |
| ▸ | MMP9 | P14780 | 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 | |
|---|---|---|---|---|
| SCHEMBL26552871 | 0.78 | ALDH1A1 (0.47) | EPHX2KCNH2ALDH1A1MMP9MMP14 | |
| SCHEMBL5019 | 0.77 | SLC6A4 (0.49) | EPHX2CHRM4LIPEKCNH2 | |
| SCHEMBL5614 | 0.77 | LIPE (0.60) | EPHX2FFAR4LIPEKCNH2CTSB | |
| SCHEMBL1589382 | 0.76 | LIPE (0.64) | LIPE | |
| SCHEMBL12702124 | 0.76 | LIPE (0.64) | LIPE | |
| SCHEMBL1589383 | 0.76 | LIPE (0.64) | LIPE | |
| SCHEMBL5301 | 0.74 | EPHX2 (0.42) | EPHX2FFAR4LIPEKCNH2 | |
| SCHEMBL24227415 | 0.73 | USP2 (0.46) | EPHX2FFAR4LIPEKCNH2CYP3A4 | |
| SCHEMBL745454 | 0.73 | CYP1A2 (0.54) | EPHX2LIPECYP3A4CYP2C19TSHR | |
| SCHEMBL621627 | 0.73 | DRD2 (0.52) | CYP3A4CYP2C19MEN1USP2ALDH1A1 |
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 |