Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | ATIC | P31939 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 3/20 | 0.40 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL2790306 | 0.84 | CYP2C19 (0.47) | CYP2C19CYP2D6HPGDHSD17B10CYP2C9 | |
| SCHEMBL4415520 | 0.80 | HSD17B10 (0.54) | CYP2C19HPGDHSD17B10CYP2C9THRB | |
| SCHEMBL31414101 | 0.80 | HSD17B10 (0.54) | CYP2C19HPGDHSD17B10CYP2C9THRB | |
| SCHEMBL28261469 | 0.76 | DHODH (0.52) | CYP2C19HPGDHSD17B10CYP2C9THRB | |
| SCHEMBL344711 | 0.76 | HSD17B10 (0.50) | CYP2C19HPGDHSD17B10CYP2C9THRB | |
| SCHEMBL5162563 | 0.75 | PDE10A (0.50) | CYP2C19HPGDHSD17B10CYP2C9THRB | |
| SCHEMBL27572021 | 0.74 | HSD17B10 (0.48) | CYP2C19HPGDHSD17B10CYP2C9THRB | |
| SCHEMBL2477681 | 0.73 | HSD17B10 (0.58) | CYP2C19HPGDHSD17B10CYP2C9THRB | |
| SCHEMBL19203141 | 0.73 | LDHA (0.49) | CYP2C19HPGDHSD17B10CYP2C9THRB | |
| SCHEMBL30706629 | 0.73 | LDHA (0.49) | CYP2C19HPGDHSD17B10CYP2C9THRB |
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-107118231-B | Naphthoquinones phosphoramide types compound and its as the purposes in cell iron death inducing agents | 北京大学 | 2019-06-07 | — | — | CN | disclosed |