Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.60 |
| ▸ | HPGD | P15428 | 3/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | GSR | P00390 | 2/20 | 0.58 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.51 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.51 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | CRHBP | P24387 | 2/20 | 0.49 |
| ▸ | CRHR2 | Q13324 | 2/20 | 0.49 |
| ▸ | NSD2 | O96028 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | TDO2 | P48775 | 1/20 | 0.49 |
| ▸ | CASP7 | P55210 | 1/20 | 0.49 |
| ▸ | CASP6 | P55212 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL30139989 | 1.00 | ALDH1A1 (0.60) | ALDH1A1HPGDKDM4EGAAGSR | |
| SCHEMBL6502278 | 0.86 | ALDH1A1 (0.57) | ALDH1A1HPGDKDM4EGAAGSR | |
| SCHEMBL30139977 | 0.82 | KDM4E (0.82) | ALDH1A1HPGDKDM4EGAAGSR | |
| SCHEMBL28516529 | 0.82 | KDM4E (0.82) | ALDH1A1HPGDKDM4EGAAGSR | |
| SCHEMBL13784100 | 0.82 | TDP1 (0.59) | ALDH1A1HPGDKDM4EGAAGSR | |
| SCHEMBL470631 | 0.80 | ESR1 (0.65) | ALDH1A1HPGDKDM4EGAAGSR | |
| SCHEMBL981951 | 0.80 | CFTR (0.62) | ALDH1A1HPGDKDM4EGAAMAPK1 | |
| SCHEMBL31448338 | 0.80 | CFTR (0.62) | ALDH1A1HPGDKDM4EGAAMAPK1 | |
| SCHEMBL11393995 | 0.80 | ALDH1A1 (0.56) | ALDH1A1HPGDKDM4EGAAGSR | |
| SCHEMBL11395176 | 0.80 | CYP1A2 (0.65) | ALDH1A1HPGDKDM4EGAAMAPK1 |
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-113774411-B | Method for electrochemically synthesizing aryl-substituted quinoxaline (ketone) derivative | 浙江工业大学 | 2022-12-27 | — | — | CN | disclosed |