Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21086754 | 0.93 | ALDH1A1 (0.46) | ALDH1A1HDAC8TSHR | |
| SCHEMBL26019073 | 0.88 | ALDH1A1 (0.38) | ALDH1A1HDAC8TSHR | |
| SCHEMBL8979448 | 0.86 | ALDH1A1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL8979464 | 0.86 | ALDH1A1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL26741742 | 0.84 | ALDH1A1 (0.41) | ALDH1A1TSHR | |
| SCHEMBL8979446 | 0.83 | ALDH1A1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL8979422 | 0.82 | ALDH1A1 (0.31) | ALDH1A1 | |
| Trimethylammonium SCHEMBL8979481 | 0.80 | TP53 (0.41) | ALDH1A1TSHR | |
| SCHEMBL21580031 | 0.79 | ALDH1A1 (0.33) | ALDH1A1 | |
| Trimethylammonium SCHEMBL8979578 | 0.76 | ALDH1A1 (0.50) | ALDH1A1HDAC8TSHR |
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-0710663-A1 | Boron-containing compound, its polymer, catalyst comprising the polymer and metallocene compound, and process for producing polyolefin | Japan Polyolefins Co., Ltd. (JP) | 1996-05-08 | — | — | EP | disclosed |