Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 12/20 | 0.49 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL745801 | 0.89 | EPHX2 (0.52) | EPHX2ITGB3ITGA2BAKR1C3 | |
| SCHEMBL747330 | 0.82 | EPHX2 (0.51) | EPHX2ITGB3ITGA2BALDH1A1HPGD | |
| SCHEMBL743550 | 0.79 | CYP3A4 (0.49) | EPHX2ALDH1A1HPGDSMN1; SMN2USP2 | |
| SCHEMBL26552871 | 0.78 | ALDH1A1 (0.47) | EPHX2ALDH1A1 | |
| SCHEMBL743517 | 0.78 | MAPK1 (0.54) | EPHX2ITGB3ITGA2BALDH1A1HPGD | |
| SCHEMBL3748988 | 0.78 | LIPE (0.60) | EPHX2 | |
| SCHEMBL3748578 | 0.78 | LIPE (0.60) | EPHX2 | |
| SCHEMBL5888 | 0.78 | EPHX2 (0.49) | EPHX2 | |
| SCHEMBL5019 | 0.78 | SLC6A4 (0.49) | EPHX2 | |
| SCHEMBL746449 | 0.77 | EPHX2 (0.48) | EPHX2ALDH1A1HPGDSMN1; SMN2USP2 |
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-2430023-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2012-03-21 | — | — | EP | claimed |
| WO-2010130665-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-18 | — | — | WO | claimed |