Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TRIM24 | O15164 | 2/20 | 0.50 |
| ▸ | TRIM33 | Q9UPN9 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | NOS3 | P29474 | 1/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
| ▸ | NOS2 | P35228 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL22319293 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TRIM24TRIM33CA1CA9 | |
| SCHEMBL7233911 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TRIM24TRIM33CA1CA9 | |
| SCHEMBL28904122 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TRIM24TRIM33CA1CA9 | |
| SCHEMBL29018328 | 1.00 | — | — | |
| SCHEMBL7560520 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TRIM24TRIM33CA1CA9 | |
| SCHEMBL28670775 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TRIM24TRIM33CA1CA9 | |
| SCHEMBL28416590 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TRIM24TRIM33CA1CA9 | |
| SCHEMBL22319282 | 1.00 | ALDH1A1 (0.50) | ALDH1A1TRIM24TRIM33CA1CA9 | |
| SCHEMBL28658913 | 0.97 | TRIM24 (0.55) | ALDH1A1TRIM24TRIM33CA1CA9 | |
| SCHEMBL1821742 | 0.97 | — | — |
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-1220850-A2 | 1,4-DIOXACYCLOALKANE-2-ONE AND 1,4-DIOXACYCLOALKENE-2-ONE | HAARMANN & REIMER GMBH (DE) | 2002-07-10 | — | — | EP | disclosed |
| WO-2001023373-A2 | 1,4-DIOXACYCLOALKANE-2-ONE AND 1,4-DIOXACYCLOALKENE-2-ONE | HAARMANN & REIMER GMBH (DE) | 2001-04-05 | — | — | WO | disclosed |