Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 7/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10517012 | 1.00 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27545132 | 0.91 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| Hydrochloric Acid SCHEMBL6151963 | 0.89 | CYP3A4 (0.41) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6151930 | 0.86 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6151927 | 0.86 | CYP3A4 (0.62) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL9567574 | 0.82 | CYP3A4 (0.52) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL27545135 | 0.81 | CYP3A4 (0.44) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL11212871 | 0.81 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL6152242 | 0.79 | HMOX1 (0.42) | — | |
| SCHEMBL6152239 | 0.79 | HMOX1 (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0278105-B1 | 2,4,4-TRI- AND 2,2,4,4-TETRA-SUBSTITUTED-1,3-DIOXOLANE | SCHERING CORP (US) | 1992-05-06 | — | — | EP | disclosed |
| EP-0329711-A1 | 2,4,4-TRI- AND 2,2,4,4-TETRA SUBSTITUTED-1,3-DIOXOLANE COMPOUNDS | SCHERING CORPORATION (US) | 1989-08-30 | — | — | EP | disclosed |
| US-4788190-A | 2,4,4-tri- and 2,2,4,4-tetra substituted-1,3-dioxolane antifungal, antiallergy compounds | SCHERING CORPORATION (US) | 1988-11-29 | — | — | US | disclosed |
| EP-0278105-A1 | 2,4,4-Tri- and 2,2,4,4-tetra-substituted-1,3-dioxolane | SCHERING CORPORATION (US) | 1988-08-17 | — | — | EP | disclosed |
| WO-1988005048-A1 | 2,4,4-TRI- AND 2,2,4,4-TETRA SUBSTITUTED-1,3-DIOXOLANE COMPOUNDS | SCHERING CORPORATION (US) | 1988-07-14 | — | — | WO | disclosed |