Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.35 |
| ▸ | CETP | P11597 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | DCUN1D1 | Q96GG9 | 1/20 | 0.34 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.34 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL29202957 | 1.00 | GAA (0.36) | GAATLR8KCNH2PTPN1GPR84 | |
| SCHEMBL29202958 | 0.99 | GAA (0.37) | GAATLR8KCNH2PTPN1GPR84 | |
| SCHEMBL11496531 | 0.94 | GAA (0.38) | GAATLR8HSD11B1KDM4EALDH1A1 | |
| SCHEMBL5424611 | 0.87 | SIGMAR1 (0.43) | TLR8ALDH1A1 | |
| SCHEMBL5425641 | 0.87 | SIGMAR1 (0.43) | TLR8ALDH1A1 | |
| SCHEMBL5417231 | 0.87 | SIGMAR1 (0.43) | TLR8ALDH1A1 | |
| SCHEMBL8510807 | 0.87 | DRD2 (0.38) | GAATLR8KCNH2ALDH1A1 | |
| SCHEMBL5420044 | 0.87 | SIGMAR1 (0.43) | TLR8ALDH1A1 | |
| SCHEMBL8512720 | 0.87 | DRD2 (0.38) | GAATLR8KCNH2ALDH1A1 | |
| SCHEMBL5428668 | 0.87 | SIGMAR1 (0.43) | TLR8ALDH1A1 |
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-117980273-A | Solid phosphorus-free scale and corrosion inhibitor composition for cooling water treatment | 埃科莱布美国股份有限公司 | 2024-05-03 | — | — | CN | disclosed |