Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | CA1 | P00915 | 4/20 | 0.39 |
| ▸ | CA2 | P00918 | 4/20 | 0.39 |
| ▸ | CA4 | P22748 | 4/20 | 0.39 |
| ▸ | CA9 | Q16790 | 4/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 1/20 | 0.36 |
| ▸ | HTR6 | P50406 | 1/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | MMP7 | P09237 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL736080 | 0.87 | CA1 (0.50) | ALDH1A1CA1CA2CA4CA9 | |
| SCHEMBL9120393 | 0.80 | ADRB1 (0.38) | ALDH1A1POLBCYP2D6HTR2CHTR6 | |
| SCHEMBL11628818 | 0.78 | L3MBTL1 (0.47) | ALDH1A1POLBL3MBTL1NPSR1HTR2C | |
| SCHEMBL6744243 | 0.76 | CA1 (0.44) | ALDH1A1CA1CA2CA4CA9 | |
| SCHEMBL3902529 | 0.76 | CA1 (0.44) | ALDH1A1CA1CA2CA4CA9 | |
| SCHEMBL30872532 | 0.74 | HTR6 (0.41) | ALDH1A1CA1CA2CA4CA9 | |
| SCHEMBL30945108 | 0.74 | NR1H2 (0.40) | CA1CA2CA4CA9HTR6 | |
| SCHEMBL3958698 | 0.74 | CA1 (0.45) | ALDH1A1CA1CA2CA4CA9 | |
| SCHEMBL23646035 | 0.74 | ALDH1A1 (0.37) | ALDH1A1POLBL3MBTL1CYP3A4CYP2C9 | |
| SCHEMBL7429329 | 0.74 | CASP3 (0.48) | CA1CA2CA9 |
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-117720528-A | Oxadiazole sulfonamide compound containing pyrazole structure, and preparation method and application thereof | 贵州大学 | 2024-03-19 | — | — | CN | disclosed |