Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 5/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 2/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.33 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.33 |
| ▸ | NCF1 | P14598 | 1/20 | 0.33 |
| ▸ | MET | P08581 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | RHOA | P61586 | 1/20 | 0.32 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL29999565 | 0.69 | GRM5 (0.48) | GRM5CYP11B1CYP11B2HRH4 | |
| SCHEMBL29549652 | 0.68 | PARP1 (0.36) | GRM5CYP11B1CYP11B2HTR3APIK3CA | |
| SCHEMBL29550093 | 0.66 | PIK3CA (0.37) | PIK3CA | |
| SCHEMBL9040151 | 0.64 | ACHE (0.46) | — | |
| SCHEMBL30832371 | 0.64 | GRM5 (0.40) | GRM5HRH4 | |
| SCHEMBL30988180 | 0.63 | MPO (0.41) | GRM5HTR3AHRH4PIK3CA | |
| SCHEMBL14437093 | 0.63 | ITGB2 (0.46) | NOTUM | |
| SCHEMBL29598502 | 0.62 | NOTUM (0.56) | GRM5CYP11B1CYP11B2NOTUMPOLB | |
| SCHEMBL519320 | 0.62 | NOTUM (0.56) | GRM5CYP11B1CYP11B2NOTUMPOLB | |
| SCHEMBL16059334 | 0.59 | PARP1 (0.44) | HTR3ANOTUMPIK3CA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022063303-A1 | A CLASS OF FUSED RING COMPOUNDS, AND PREPARATION AND USE THEREOF | 石药集团中奇制药技术（石家庄）有限公司 | 2022-03-31 | — | — | WO | disclosed |