Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8056864 | 0.80 | MAPT (0.33) | — | |
| SCHEMBL2617396 | 0.79 | TAAR1 (0.32) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL15564536 | 0.79 | NR1H2 (0.33) | — | |
| SCHEMBL8878189 | 0.77 | HDAC3 (0.43) | ALDH1A1 | |
| SCHEMBL506540 | 0.76 | NR1H2 (0.33) | ALDH1A1 | |
| SCHEMBL30159155 | 0.75 | ADH1B (0.32) | — | |
| SCHEMBL8969261 | 0.74 | MGAM (0.40) | ALDH1A1HPGDALOX15ALOX12CASP1 | |
| SCHEMBL6312176 | 0.73 | TSHR (0.34) | ALDH1A1ALOX12 | |
| SCHEMBL14770816 | 0.73 | TP53 (0.35) | ALDH1A1 | |
| SCHEMBL6675595 | 0.72 | CYP2C19 (0.40) | ALDH1A1 |
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-115260165-B | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2024-08-06 | — | — | CN | disclosed |
| CN-115260165-A | Benzo nitrogen-containing five-membered heterocyclic compound and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-11-01 | — | — | CN | disclosed |