Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10974684 | 1.00 | TDP1 (0.32) | TDP1HSD17B10ALDH1A1TSHR | |
| SCHEMBL3503821 | 0.83 | ALDH1A1 (0.43) | ALDH1A1TSHR | |
| SCHEMBL9050334 | 0.83 | ALDH1A1 (0.41) | TDP1HSD17B10ALDH1A1 | |
| SCHEMBL29171113 | 0.83 | — | — | |
| SCHEMBL7068625 | 0.81 | ALDH1A1 (0.30) | ALDH1A1TSHR | |
| SCHEMBL3503333 | 0.79 | TSHR (0.46) | ALDH1A1TSHR | |
| SCHEMBL4865125 | 0.77 | — | — | |
| SCHEMBL1783345 | 0.77 | — | — | |
| Hydrogen Peroxide SCHEMBL27141842 | 0.75 | ALDH1A1 (0.36) | TDP1HSD17B10ALDH1A1TSHR | |
| SCHEMBL11819522 | 0.74 | — | — |
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-0089576-B1 | 1,1-DIACYLOXY-3-ALKYL-4-HYDROXY-2 BUTENES, THEIR PREPARATION AND USE | BASF Aktiengesellschaft (DE) | 1985-07-10 | — | — | EP | disclosed |
| EP-0089576-A2 | 1,1-Diacyloxy-3-alkyl-4-hydroxy-2 butenes, their preparation and use | BASF Aktiengesellschaft (DE) | 1983-09-28 | — | — | EP | disclosed |