Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 12/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 11/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 10/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 9/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 4/20 | 0.45 |
| ▸ | USP2 | O75604 | 8/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 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 | |
|---|---|---|---|---|
| SCHEMBL14238794 | 0.84 | ALDH1A1 (0.37) | CYP2C9CYP3A4CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL746769 | 0.80 | LIPE (0.50) | CYP2C9CYP3A4CYP2C19TSHR | |
| SCHEMBL746711 | 0.80 | CYP2C9 (0.48) | CYP2C9CYP3A4CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL745542 | 0.76 | CYP2C9 (0.52) | CYP2C9CYP3A4CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL746619 | 0.72 | LIPE (0.47) | CYP2C9CYP3A4CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL744218 | 0.72 | CYP3A4 (0.52) | CYP2C9CYP3A4CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL743380 | 0.71 | LIPE (0.54) | CYP2C9CYP3A4CYP2C19TSHR | |
| SCHEMBL746622 | 0.70 | CCR1 (0.44) | CYP2C9CYP3A4CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL747930 | 0.69 | LIPE (0.44) | CYP2C9CYP3A4CYP1A2CYP2C19ALDH1A1 | |
| SCHEMBL746534 | 0.69 | CYP3A4 (0.48) | CYP2C9CYP3A4CYP1A2CYP2C19ALDH1A1 |
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 |