Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ELANE | P08246 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.30 |
| ▸ | NR1H3 | Q13133 | 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 | |
|---|---|---|---|---|
| SCHEMBL28040355 | 0.90 | ESR1 (0.33) | ESR1ESR2 | |
| SCHEMBL28040369 | 0.87 | KDM4E (0.33) | KDM4EALDH1A1HPGDGAAELANE | |
| SCHEMBL27886271 | 0.85 | KDM4E (0.33) | KDM4EALDH1A1HPGDGAA | |
| SCHEMBL27886295 | 0.84 | KDM4E (0.31) | KDM4EALDH1A1HPGDGAA | |
| SCHEMBL27953349 | 0.82 | KDM4E (0.32) | ESR1KDM4EALDH1A1HPGDGAA | |
| SCHEMBL28040367 | 0.78 | HSD11B1 (0.35) | — | |
| SCHEMBL27870057 | 0.77 | — | — | |
| SCHEMBL27870084 | 0.75 | HSD11B1 (0.33) | — | |
| SCHEMBL28800428 | 0.75 | HSD11B1 (0.31) | — | |
| SCHEMBL27953398 | 0.73 | HSD11B1 (0.31) | ESR1KDM4EHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102666561-B | Transition metal complex, the cyclopentadiene compound of catalyst for trimerization and replacement | SUMITOMO CHEMICAL CO.,LTD. (JP) | 2015-11-25 | — | — | CN | disclosed |