Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 13/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 10/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 10/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 9/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 7/20 | 0.49 |
| ▸ | TSHR | P16473 | 7/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 5/20 | 0.44 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | LIPE | Q05469 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.40 |
| ▸ | CYP21A2 | P08686 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL764042 | 0.87 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL3744686 | 0.82 | LIPE (0.51) | SMN1; SMN2LIPELMNAHTT | |
| SCHEMBL745746 | 0.75 | CYP3A4 (0.58) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL25587669 | 0.71 | CYP3A4 (0.55) | CYP3A4SMN1; SMN2HTTCYP17A1CYP21A2 | |
| SCHEMBL746672 | 0.70 | CYP3A4 (0.73) | CYP3A4CYP2C9CYP2C19CYP1A2CYP2D6 | |
| SCHEMBL746188 | 0.69 | LIPE (0.60) | LIPE | |
| SCHEMBL3752455 | 0.69 | LIPE (0.66) | SMN1; SMN2LIPELMNAHTT | |
| SCHEMBL12058 | 0.69 | LIPE (0.42) | CYP3A4CYP2C9CYP2C19CYP1A2MAPK1 | |
| SCHEMBL22394233 | 0.67 | MGLL (0.47) | HPGDSSTR5KCNH2 | |
| SCHEMBL18418367 | 0.67 | MGLL (0.47) | HPGDSSTR5KCNH2 |
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 | disclosed |
| WO-2010130665-A1 | AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-11-18 | — | — | WO | disclosed |