Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AHR | P35869 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | DAO | P14920 | 1/20 | 0.50 |
| ▸ | DDO | Q99489 | 1/20 | 0.50 |
| ▸ | GPR3 | P46089 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | KIF11 | P52732 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.45 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.44 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL4980225 | 1.00 | AHR (0.61) | AHRALDH1A1HSD17B10DAODDO | |
| SCHEMBL7195762 | 0.78 | AHR (0.70) | AHRALDH1A1HSD17B10DAODDO | |
| SCHEMBL154593 | 0.76 | AHR (1.00) | AHRALDH1A1HSD17B10DAODDO | |
| SCHEMBL29420757 | 0.76 | AHR (1.00) | AHRALDH1A1HSD17B10DAODDO | |
| SCHEMBL29366882 | 0.76 | ALDH1A1 (0.55) | AHRALDH1A1HSD17B10GPR3MAPT | |
| SCHEMBL8598229 | 0.76 | ALDH1A1 (0.55) | AHRALDH1A1HSD17B10GPR3MAPT | |
| SCHEMBL13847310 | 0.75 | DAO (0.62) | AHRALDH1A1HSD17B10DAODDO | |
| SCHEMBL8087766 | 0.74 | AHR (0.57) | AHRALDH1A1HSD17B10DAODDO | |
| SCHEMBL4741007 | 0.73 | AHR (0.61) | AHRALDH1A1HSD17B10DAODDO | |
| SCHEMBL6817362 | 0.73 | AHR (0.61) | AHRALDH1A1HSD17B10DAODDO |
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-117229281-A | Di-parallel ring derivative regulator, preparation method and application thereof | 上海翰森生物医药科技有限公司 | 2023-12-15 | — | — | CN | disclosed |