Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | USP2 | O75604 | 4/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | LIPE | Q05469 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL746018 | 0.79 | LIPE (0.53) | ITGB3ITGA2BLIPE | |
| SCHEMBL5578 | 0.76 | LIPE (0.34) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL11371 | 0.74 | KCNH2 (0.34) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL743550 | 0.70 | CYP3A4 (0.49) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL2694775 | 0.69 | SMN1; SMN2 (0.47) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL747330 | 0.69 | EPHX2 (0.51) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL747930 | 0.68 | LIPE (0.44) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL13153240 | 0.68 | GFER (0.62) | CYP2C19ALDH1A1HPGDSMN1; SMN2HSD17B10 | |
| SCHEMBL2694620 | 0.68 | SMN1; SMN2 (0.47) | CYP3A4CYP2C19TSHRALDH1A1USP2 | |
| SCHEMBL13074955 | 0.68 | LIPE (0.52) | ITGB3ITGA2BLIPE |
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 |