Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABAT | P80404 | 1/20 | 0.52 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | LOXL2 | Q9Y4K0 | 2/20 | 0.42 |
| ▸ | F10 | P00742 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.39 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | BLM | P54132 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6784267 | 0.92 | NQO2 (0.49) | ABATNQO2KMT2ABLMMEN1 | |
| SCHEMBL6784264 | 0.92 | NQO2 (0.49) | ABATNQO2KMT2ABLMMEN1 | |
| SCHEMBL28269614 | 0.88 | ENPP2 (0.45) | ABATNQO2LOXL2F10TAAR1 | |
| SCHEMBL27729121 | 0.87 | LOXL2 (0.45) | ABATLOXL2F10HDAC3HDAC6 | |
| SCHEMBL27415478 | 0.86 | LOXL2 (0.42) | LOXL2F10HDAC3HDAC6NCOR2 | |
| SCHEMBL27729199 | 0.85 | LOXL2 (0.42) | ABATLOXL2F10HDAC3HDAC6 | |
| SCHEMBL27833892 | 0.84 | NPC1 (0.50) | NQO2KDM4EALDH1A1CYP2C19KMT2A | |
| SCHEMBL27762421 | 0.84 | NPC1 (0.50) | NQO2KDM4EALDH1A1CYP2C19KMT2A | |
| SCHEMBL28263236 | 0.83 | LMNA (0.45) | NQO2HDAC6SLC6A2CYP2C19KMT2A | |
| SCHEMBL27565138 | 0.83 | FNTA (0.42) | NQO2ALDH1A1KMT2ATDP1MEN1 |
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-109293616-A | One kind chalcones containing cumarin derivative, preparation method and application | 贵州大学 | 2019-02-01 | — | — | CN | disclosed |
| CN-109134399-A | A kind of Isosorbide-5-Nitrae containing benzothiazole-pentadiene -3- ketones derivant, preparation method and application | 贵州大学 | 2019-01-04 | — | — | CN | disclosed |