Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | NR4A2 | P43354 | 3/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.48 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.48 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.47 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.46 |
| ▸ | ABL1 | P00519 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL13435236 | 0.85 | KMT2A (0.61) | CFTRKMT2AALDH1A1NR4A2MAPK1 | |
| SCHEMBL29644805 | 0.85 | KMT2A (0.61) | CFTRKMT2AALDH1A1NR4A2MAPK1 | |
| SCHEMBL30118927 | 0.85 | KMT2A (0.61) | CFTRKMT2AALDH1A1NR4A2MAPK1 | |
| SCHEMBL15830641 | 0.84 | KMT2A (0.53) | CFTRKMT2AALDH1A1NR4A2MAPK1 | |
| SCHEMBL13824012 | 0.83 | SLC6A3 (0.64) | CFTRKMT2AALDH1A1SLC6A4SLC6A3 | |
| SCHEMBL28674023 | 0.83 | KMT2A (0.52) | CFTRKMT2AALDH1A1NR4A2MAPK1 | |
| SCHEMBL19923176 | 0.81 | SLC6A3 (0.59) | CFTRKMT2AALDH1A1SLC6A4SLC6A3 | |
| SCHEMBL28677127 | 0.81 | KDM4E (0.47) | KMT2AALDH1A1SLC6A4SLC6A3KDM4E | |
| SCHEMBL13824199 | 0.79 | SLC6A3 (0.77) | KMT2AALDH1A1SLC6A4SLC6A3KDM4E | |
| SCHEMBL13824067 | 0.78 | SLC6A3 (0.56) | CFTRKMT2AALDH1A1SLC6A4SLC6A3 |
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-113979955-B | Preparation method of heterocyclic ester compound | 河南农业大学 | 2024-05-14 | — | — | CN | disclosed |
| CN-113979955-A | Preparation method of heterocyclic ester compound | 河南农业大学 | 2022-01-28 | — | — | CN | disclosed |