Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.49 |
| ▸ | EPHX2 | P34913 | 7/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.48 |
| ▸ | USP2 | O75604 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.44 |
| ▸ | LIPE | Q05469 | 1/20 | 0.43 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | ATXN2 | Q99700 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL747330 | 0.84 | EPHX2 (0.51) | CYP3A4EPHX2TSHRCYP2C19ALDH1A1 | |
| SCHEMBL743517 | 0.84 | MAPK1 (0.54) | CYP3A4EPHX2TSHRCYP2C19ALDH1A1 | |
| SCHEMBL748074 | 0.82 | GRM5 (0.55) | CYP3A4EPHX2TSHRCYP2C19ALDH1A1 | |
| SCHEMBL3741508 | 0.80 | LIPE (0.60) | HRH3LIPE | |
| SCHEMBL747836 | 0.79 | EPHX2 (0.49) | CYP3A4EPHX2TSHRCYP2C19ALDH1A1 | |
| SCHEMBL745801 | 0.78 | EPHX2 (0.52) | EPHX2 | |
| SCHEMBL18357725 | 0.77 | EPHX2 (0.52) | CYP3A4EPHX2TSHRCYP2C19ALDH1A1 | |
| SCHEMBL26552871 | 0.76 | ALDH1A1 (0.47) | EPHX2ALDH1A1 | |
| SCHEMBL5019 | 0.76 | SLC6A4 (0.49) | EPHX2LIPE | |
| SCHEMBL747217 | 0.76 | EPHX2 (0.54) | CYP3A4EPHX2TSHRCYP2C19ALDH1A1 |
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 |