Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | HPGD | P15428 | 3/20 | 0.62 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.58 |
| ▸ | MEN1 | O00255 | 3/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.54 |
| ▸ | GAA | P10253 | 2/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 2/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.41 |
| ▸ | KLF10 | Q13118 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28825258 | 0.88 | HTT (0.55) | HTTALDH1A1HPGDCYP2D6MEN1 | |
| SCHEMBL29152361 | 0.77 | ALDH1A1 (0.68) | HTTALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL10824828 | 0.76 | HTT (0.65) | HTTALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL30956065 | 0.75 | KMT2A (0.43) | HTTALDH1A1HPGDCYP2D6MEN1 | |
| SCHEMBL29119880 | 0.74 | MEN1 (0.58) | HTTALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL1229448 | 0.73 | ESR1 (0.71) | ALDH1A1HPGDCYP2D6MEN1KMT2A | |
| SCHEMBL11092652 | 0.73 | CYP2D6 (0.62) | ALDH1A1HPGDCYP2D6MEN1KMT2A | |
| SCHEMBL7795903 | 0.73 | CYP2D6 (0.59) | ALDH1A1HPGDCYP2D6MEN1KMT2A | |
| SCHEMBL28831112 | 0.72 | CYP2D6 (0.60) | ALDH1A1HPGDCYP2D6MEN1KMT2A | |
| SCHEMBL21002165 | 0.71 | CYP2D6 (0.67) | ALDH1A1HPGDCYP2D6MEN1KMT2A |
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-114933562-A | Efficient preparation method of chloroquine based on catalysis of (2-hydroxybenzyl) disubstituted phosphine oxide | 华东理工大学 | 2022-08-23 | — | — | CN | claimed |
| CN-114933562-B | Efficient preparation method of chloroquine based on (2-hydroxybenzyl) disubstituted phosphine oxide catalysis | 华东理工大学 | 2024-07-23 | — | — | CN | disclosed |
| CN-114933562-A | Efficient preparation method of chloroquine based on catalysis of (2-hydroxybenzyl) disubstituted phosphine oxide | 华东理工大学 | 2022-08-23 | — | — | CN | disclosed |