Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 2/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.34 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.34 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.34 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.34 |
| ▸ | PRKACA | P17612 | 2/20 | 0.34 |
| ▸ | RPS6KB1 | P23443 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11598381 | 0.86 | CYP3A4 (0.41) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL21786012 | 0.78 | CYP3A4 (0.40) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL8131225 | 0.77 | CYP3A4 (0.39) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL1516192 | 0.75 | CYP3A4 (0.42) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL348431 | 0.75 | CYP3A4 (0.42) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL6480804 | 0.75 | CYP3A4 (0.42) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL6557220 | 0.74 | PPARG (0.38) | CYP3A4SLC6A2SLC6A3CYP2C19CYP1A2 | |
| SCHEMBL26134662 | 0.72 | SLC6A2 (0.42) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL23343863 | 0.68 | SLC6A2 (0.39) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 | |
| SCHEMBL10977836 | 0.68 | CYP19A1 (0.41) | CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114656510-A | High-nuclear-heterogeneity metal cluster-organic framework compound and preparation method and application thereof | 福州大学 | 2022-06-24 | — | — | CN | claimed |
| CN-114656510-A | High-nuclear-heterogeneity metal cluster-organic framework compound and preparation method and application thereof | 福州大学 | 2022-06-24 | — | — | CN | disclosed |
| CN-114656510-A | High-nuclear-heterogeneity metal cluster-organic framework compound and preparation method and application thereof | 福州大学 | 2022-06-24 | — | — | CN | disclosed |