Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8979466 | 0.89 | TP53 (0.35) | TP53TDP1PTGS2ALDH1A1TSHR | |
| SCHEMBL8979443 | 0.89 | TP53 (0.35) | TP53TDP1PTGS2ALDH1A1TSHR | |
| SCHEMBL8979449 | 0.86 | TP53 (0.35) | TP53TDP1PTGS2ALDH1A1TSHR | |
| Trimethylammonium SCHEMBL8979528 | 0.80 | ALDH1A1 (0.39) | ALDH1A1TSHR | |
| SCHEMBL21086754 | 0.72 | ALDH1A1 (0.46) | TDP1ALDH1A1TSHR | |
| SCHEMBL8979448 | 0.72 | ALDH1A1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL8979464 | 0.72 | ALDH1A1 (0.36) | ALDH1A1TSHR | |
| SCHEMBL26019073 | 0.69 | ALDH1A1 (0.38) | ALDH1A1TSHR | |
| SCHEMBL8979446 | 0.69 | ALDH1A1 (0.36) | ALDH1A1TSHR | |
| Trimethylammonium SCHEMBL8979472 | 0.68 | ALDH1A1 (0.33) | ALDH1A1 |
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 |