Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | ACE | P12821 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | NAALAD2 | Q9Y3Q0 | 3/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | CTSS | P25774 | 1/20 | 0.31 |
| ▸ | CTSK | P43235 | 1/20 | 0.31 |
| ▸ | ICMT | O60725 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27218100 | 0.91 | ALDH1A1 (0.45) | ALDH1A1MAPTACEKDM4ETHRB | |
| SCHEMBL27218102 | 0.91 | ALDH1A1 (0.45) | ALDH1A1MAPTACEKDM4ETHRB | |
| Ammonia Solution, Strong SCHEMBL30416300 | 0.89 | ALDH1A1 (0.44) | ALDH1A1MAPTACEKDM4ETHRB | |
| SCHEMBL31508607 | 0.79 | MAPT (0.40) | ALDH1A1MAPTKDM4ETHRBALOX15 | |
| SCHEMBL25072170 | 0.77 | ACE (0.32) | ALDH1A1ACENAALAD2POLB | |
| SCHEMBL21144523 | 0.72 | MAPT (0.52) | ALDH1A1MAPTACEKDM4ETHRB | |
| SCHEMBL19137473 | 0.71 | ALDH1A1 (0.35) | ALDH1A1POLBCTSSCTSK | |
| SCHEMBL19137472 | 0.71 | ALDH1A1 (0.35) | ALDH1A1POLBCTSSCTSK | |
| SCHEMBL16745722 | 0.70 | MAPT (0.59) | ALDH1A1MAPTACEKDM4ETHRB | |
| SCHEMBL6308419 | 0.70 | MAPT (0.59) | ALDH1A1MAPTACEKDM4ETHRB |
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-120009437-A | Method for simultaneously measuring multiple volatile organic compounds metabolites in urine | 中国疾病预防控制中心环境与健康相关产品安全所 | 2025-05-16 | — | — | CN | claimed |
| CN-120009437-A | Method for simultaneously measuring multiple volatile organic compounds metabolites in urine | 中国疾病预防控制中心环境与健康相关产品安全所 | 2025-05-16 | — | — | CN | disclosed |