Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.51 |
| ▸ | SHBG | P04278 | 3/20 | 0.48 |
| ▸ | SERPINA6 | P08185 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | PGR | P06401 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 5/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | NR3C1 | P04150 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | ESR1 | P03372 | 2/20 | 0.44 |
| ▸ | AR | P10275 | 2/20 | 0.44 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL13557243 | 0.74 | CYP19A1 (0.55) | CYP19A1SHBGSERPINA6ALDH1A1SLC22A1 | |
| SCHEMBL9139911 | 0.71 | CYP19A1 (0.57) | CYP19A1SHBGSERPINA6ALDH1A1SLC22A1 | |
| SCHEMBL9139913 | 0.71 | CYP19A1 (0.57) | CYP19A1SHBGSERPINA6ALDH1A1SLC22A1 | |
| SCHEMBL13770470 | 0.70 | CYP19A1 (0.56) | CYP19A1SHBGSERPINA6ALDH1A1SLC22A1 | |
| SCHEMBL9138336 | 0.69 | CYP19A1 (0.55) | CYP19A1SHBGSERPINA6ALDH1A1SLC22A1 | |
| SCHEMBL9138309 | 0.69 | CYP19A1 (0.55) | CYP19A1SHBGSERPINA6ALDH1A1SLC22A1 | |
| SCHEMBL7739564 | 0.69 | CYP19A1 (0.73) | CYP19A1SHBGSERPINA6ALDH1A1SLC22A1 | |
| Metogest SCHEMBL121047 | 0.68 | ALDH1A1 (0.70) | CYP19A1SHBGSERPINA6ALDH1A1SLC22A1 | |
| SCHEMBL20342396 | 0.68 | ALDH1A1 (0.70) | CYP19A1SHBGSERPINA6ALDH1A1SLC22A1 | |
| SCHEMBL6357336 | 0.68 | ALDH1A1 (0.70) | CYP19A1SHBGSERPINA6ALDH1A1SLC22A1 |
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-113651681-B | Method for preparing aldehyde/ketone by breaking C-C bond | 中山大学 | 2022-07-22 | — | — | CN | disclosed |
| CN-113651681-A | Method for preparing aldehyde/ketone by breaking C-C bond | 中山大学 | 2021-11-16 | — | — | CN | disclosed |