Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 2/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1636885 | 0.83 | ALDH1A1 (0.37) | ALOX15ALOX12ALDH1A1CYP3A4HPGD | |
| SCHEMBL1963784 | 0.75 | — | — | |
| SCHEMBL148163 | 0.74 | TSHR (0.35) | ALDH1A1TSHR | |
| SCHEMBL21061043 | 0.72 | TSHR (0.34) | ALDH1A1TSHR | |
| SCHEMBL8135398 | 0.72 | CYP11B1 (0.31) | — | |
| SCHEMBL16439901 | 0.71 | — | — | |
| SCHEMBL2585723 | 0.68 | HPGD (0.40) | ALOX15ALOX12ALDH1A1CYP3A4HPGD | |
| SCHEMBL30812285 | 0.68 | ALOX15 (0.63) | ALOX15ALOX12ALDH1A1CYP3A4HPGD | |
| SCHEMBL3945118 | 0.68 | ESR1 (0.30) | — | |
| SCHEMBL5950693 | 0.68 | HSD17B10 (0.40) | ALOX15ALOX12ALDH1A1CYP3A4HPGD |
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-111819181-A | Benzo-seven-membered heterocyclic compound, preparation method, pharmaceutical composition and application thereof | 罗欣药业(上海)有限公司 | 2020-10-23 | — | — | CN | disclosed |