Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 1/20 | 0.36 |
| ▸ | HRH1 | P35367 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL26278070 | 0.82 | ESR1 (0.45) | L3MBTL1CXCR4ESR1ESR2TSHR | |
| SCHEMBL20375684 | 0.81 | KCNA5 (0.39) | CXCR4ESR1ESR2TSHRKCNA5 | |
| SCHEMBL21312301 | 0.75 | ESR1 (0.41) | L3MBTL1ESR1ESR2TSHRTLR7 | |
| SCHEMBL11319209 | 0.73 | CXCR4 (0.41) | CXCR4TSHRKCNA5KCNH2SLC6A2 | |
| SCHEMBL6792327 | 0.72 | HRH1 (0.62) | L3MBTL1MAOAMAOBHRH1CYP2D6 | |
| SCHEMBL3249970 | 0.72 | MAOA (0.50) | L3MBTL1ESR1ESR2TSHRKCNA5 | |
| SCHEMBL25003875 | 0.72 | TSHR (0.41) | L3MBTL1CXCR4TSHRKCNA5KCNH2 | |
| SCHEMBL30498939 | 0.71 | TSHR (0.48) | CXCR4TSHRKCNA5KCNH2HRH1 | |
| SCHEMBL14928666 | 0.71 | TSHR (0.48) | CXCR4TSHRKCNA5KCNH2HRH1 | |
| SCHEMBL19303202 | 0.71 | TSHR (0.48) | CXCR4TSHRKCNA5KCNH2HRH1 |
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-2022143771-A1 | RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2022-07-07 | — | — | WO | disclosed |