Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.56 |
| ▸ | EDNRA | P25101 | 1/20 | 0.48 |
| ▸ | MAOA | P21397 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | AR | P10275 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | KDM5A | P29375 | 1/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL15231932 | 0.81 | CA12 (0.56) | NQO1MAOAALDH1A1KDM4EHSD17B10 | |
| SCHEMBL8493335 | 0.78 | NQO1 (0.56) | NQO1EDNRAMAOAALDH1A1KDM4E | |
| SCHEMBL11323693 | 0.77 | EDNRA (0.60) | NQO1EDNRAMAOAALDH1A1KDM4E | |
| SCHEMBL15873593 | 0.75 | CA12 (0.59) | NQO1ALDH1A1KDM4EHSD17B10TP53 | |
| SCHEMBL8496926 | 0.75 | NQO1 (0.51) | NQO1EDNRAMAOAALDH1A1KDM4E | |
| SCHEMBL8683168 | 0.74 | CA12 (0.55) | ALDH1A1KDM4EHSD17B10TP53MAPT | |
| SCHEMBL8491175 | 0.74 | NQO1 (0.64) | NQO1EDNRAMAOAALDH1A1KDM4E | |
| SCHEMBL8492959 | 0.74 | NQO1 (0.47) | NQO1EDNRAMAOAALDH1A1KDM4E | |
| SCHEMBL6271366 | 0.74 | NQO1 (0.53) | NQO1EDNRAMAOAALDH1A1KDM4E | |
| SCHEMBL8493522 | 0.74 | NQO1 (0.47) | NQO1EDNRAMAOAALDH1A1KDM4E |
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-106928799-B | Child room special environment protection crystalline substance bores basement membrane and its processing method | 北京别丽美特装饰材料有限公司 | 2019-05-24 | — | — | CN | disclosed |