Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 6/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.44 |
| ▸ | ITGB3 | P05106 | 6/20 | 0.42 |
| ▸ | ITGA2B | P08514 | 6/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL2336591 | 0.78 | CYP2C9 (0.46) | CYP3A4CYP2C9CYP2D6ITGB3ITGA2B | |
| SCHEMBL639215 | 0.75 | CYP3A4 (0.68) | CYP3A4CYP2C9CYP2D6ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL2363733 | 0.72 | CYP3A4 (0.56) | CYP3A4CYP2C9CYP2D6TSHRCYP2C19 | |
| SCHEMBL3724023 | 0.72 | CYP2C9 (0.51) | CYP3A4CYP2C9CYP2D6ITGB3ITGA2B | |
| Hydrochloric Acid SCHEMBL3729754 | 0.70 | CYP2C9 (0.51) | CYP3A4CYP2C9CYP2D6ITGB3ITGA2B | |
| SCHEMBL25337864 | 0.69 | — | — | |
| SCHEMBL484916 | 0.69 | ITGB3 (0.68) | CYP3A4CYP2C9CYP2D6ITGB3ITGA2B | |
| SCHEMBL640636 | 0.69 | ITGB3 (0.67) | CYP3A4CYP2C9CYP2D6ITGB3ITGA2B | |
| SCHEMBL30042024 | 0.68 | CYP3A4 (0.67) | CYP3A4CYP2C9CYP2D6TSHRCYP2C19 | |
| SCHEMBL16611629 | 0.68 | CYP2C9 (0.64) | CYP3A4CYP2C9CYP2D6ITGB3ITGA2B |
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-2350003-A1 | SUBSTITUTED DISULFONAMIDES AS BRI-MODULATORS | Grünenthal GmbH (DE) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010051977-A1 | SUBSTITUTED DISULFONAMIDES AS BRI-MODULATORS | Grünenthal GmbH (DE) | 2010-05-14 | — | — | WO | disclosed |