Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRC | Q99895 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | SIRT2 | Q8IXJ6 | 4/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28085580 | 0.82 | CTRC (0.46) | CTRCALDH1A1ALDH2HPGDGAA | |
| SCHEMBL28085563 | 0.80 | CTRC (0.54) | CTRCALDH1A1ALDH2HPGDGAA | |
| SCHEMBL8274960 | 0.73 | CTRC (0.61) | CTRCALDH1A1ALDH2HPGDGAA | |
| SCHEMBL576832 | 0.73 | CTRC (0.61) | CTRCALDH1A1ALDH2HPGDGAA | |
| SCHEMBL11755274 | 0.70 | CTRC (0.57) | CTRCALDH1A1ALDH2HPGDGAA | |
| SCHEMBL6755504 | 0.70 | CTRC (0.57) | CTRCALDH1A1ALDH2HPGDGAA | |
| SCHEMBL2207365 | 0.69 | ALDH1A1 (0.71) | CTRCALDH1A1ALDH2HPGDGAA | |
| SCHEMBL2207361 | 0.69 | ALDH1A1 (0.71) | CTRCALDH1A1ALDH2HPGDGAA | |
| SCHEMBL14430966 | 0.69 | ALDH1A1 (0.71) | CTRCALDH1A1ALDH2HPGDGAA | |
| SCHEMBL2211023 | 0.69 | ALDH1A1 (0.71) | CTRCALDH1A1ALDH2HPGDGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-105884728-B | A kind of synthetic method of chirality 2H- pyran-2-one derivative | 杭州师范大学 | 2018-12-04 | — | — | CN | disclosed |
| CN-105884728-A | Synthesis method of chirality 2H-pyran-2-ketone derivate | 杭州师范大学 | 2016-08-24 | — | — | CN | disclosed |