Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 9/20 | 0.64 |
| ▸ | CYP3A4 | P08684 | 8/20 | 0.64 |
| ▸ | TSHR | P16473 | 5/20 | 0.64 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.62 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.62 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.61 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.61 |
| ▸ | HIF1A | Q16665 | 3/20 | 0.59 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | USP2 | O75604 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL640636 | 0.92 | ITGB3 (0.67) | CYP2C9CYP3A4TSHRCYP2C19HSD17B10 | |
| SCHEMBL639215 | 0.91 | CYP3A4 (0.68) | CYP2C9CYP3A4TSHRCYP2C19HSD17B10 | |
| SCHEMBL641121 | 0.89 | CYP2C9 (0.75) | CYP2C9CYP3A4TSHRCYP2C19HSD17B10 | |
| SCHEMBL484916 | 0.86 | ITGB3 (0.68) | CYP2C9CYP3A4TSHRCYP2C19HSD17B10 | |
| SCHEMBL23932520 | 0.85 | CYP2C9 (0.59) | CYP2C9CYP3A4TSHRCYP2C19HSD17B10 | |
| SCHEMBL484957 | 0.84 | CYP3A4 (0.68) | CYP2C9CYP3A4TSHRCYP2C19ITGB3 | |
| SCHEMBL3095008 | 0.82 | CYP2C9 (0.83) | CYP2C9CYP3A4TSHRCYP2C19HSD17B10 | |
| SCHEMBL21855228 | 0.81 | GFER (0.51) | CYP2C9CYP3A4TSHRCYP2C19HSD17B10 | |
| SCHEMBL3099022 | 0.81 | CYP3A4 (0.87) | CYP2C9CYP3A4TSHRCYP2C19HSD17B10 | |
| SCHEMBL3404750 | 0.80 | SMN1; SMN2 (0.57) | CYP2C9CYP3A4TSHRCYP2C19ITGB3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2857388-A1 | Azoles containing sulfone | Grünenthal GmbH (DE) | 2015-04-08 | — | — | EP | disclosed |