Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.68 |
| ▸ | MAPT | P10636 | 6/20 | 0.68 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.68 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.68 |
| ▸ | HTT | P42858 | 2/20 | 0.68 |
| ▸ | MEN1 | O00255 | 1/20 | 0.68 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.64 |
| ▸ | GLA | P06280 | 1/20 | 0.64 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.64 |
| ▸ | TP53 | P04637 | 5/20 | 0.58 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.58 |
| ▸ | HPGD | P15428 | 5/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL28485492 | 0.89 | MAPT (0.57) | ALDH1A1MAPTCYP2C9CYP2C19HTT | |
| SCHEMBL28895563 | 0.89 | MAPT (0.56) | ALDH1A1MAPTCYP2C9CYP2C19HTT | |
| SCHEMBL28438083 | 0.89 | RAB9A (0.59) | ALDH1A1MAPTCYP2C9CYP2C19HTT | |
| SCHEMBL28429612 | 0.86 | HTT (0.61) | ALDH1A1MAPTCYP2C9CYP2C19HTT | |
| SCHEMBL28282523 | 0.86 | MAPT (0.57) | ALDH1A1MAPTCYP2C9CYP2C19HTT | |
| SCHEMBL2783065 | 0.86 | ALDH1A1 (0.59) | ALDH1A1MAPTCYP2C9CYP2C19HTT | |
| SCHEMBL29724622 | 0.86 | ALDH1A1 (0.59) | ALDH1A1MAPTCYP2C9CYP2C19HTT | |
| SCHEMBL28900941 | 0.84 | ALDH1A1 (0.53) | ALDH1A1MAPTCYP2C9CYP2C19HTT | |
| SCHEMBL28475767 | 0.83 | ALDH1A1 (0.54) | ALDH1A1MAPTCYP2C9CYP2C19HTT | |
| SCHEMBL35211812 | 0.81 | MAPT (0.56) | ALDH1A1MAPTHTTTP53RXFP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113956208-B | Aryl heterocyclic derivative and synthesis method thereof | 郑州大学 | 2023-08-15 | — | — | CN | disclosed |
| CN-113956208-A | Aryl heterocyclic derivative and synthetic method thereof | 郑州大学 | 2022-01-21 | — | — | CN | disclosed |
| CN-109535087-B | Synthetic method of quinoxaline-2 (1H) -ketone C-3 site aroyl compound | 湖南科技学院 | 2020-07-31 | — | — | CN | disclosed |
| CN-109535087-A | A kind of synthetic method of -2 C-3 aroyl compounds of (1H) -one of quinoxaline | 湖南科技学院 | 2019-03-29 | — | — | CN | disclosed |