Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNB4 | O00305 | 2/20 | 0.41 |
| ▸ | CACNA1A | O00555 | 2/20 | 0.41 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.41 |
| ▸ | CACNG3 | O60359 | 2/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 2/20 | 0.41 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.41 |
| ▸ | CACNB3 | P54284 | 2/20 | 0.41 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.41 |
| ▸ | CACNG7 | P62955 | 2/20 | 0.41 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 2/20 | 0.41 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.41 |
| ▸ | CACNG1 | Q06432 | 2/20 | 0.41 |
| ▸ | CACNB2 | Q08289 | 2/20 | 0.41 |
| ▸ | CACNA1S | Q13698 | 2/20 | 0.41 |
| ▸ | CACNA1C | Q13936 | 2/20 | 0.41 |
| ▸ | CACNA1E | Q15878 | 2/20 | 0.41 |
| ▸ | CACNA2D4 | Q7Z3S7 | 2/20 | 0.41 |
| ▸ | CACNA2D3 | Q8IZS8 | 2/20 | 0.41 |
| ▸ | CACNG8 | Q8WXS5 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28460224 | 0.93 | CACNB4 (0.41) | CACNB4CACNA1ACACNA1GCACNG3CACNA1F | |
| SCHEMBL28456326 | 0.92 | APLNR (0.42) | MAP4K1PIK3CAPIK3CDPIK3CBPIK3CG | |
| SCHEMBL28452368 | 0.91 | IRAK4 (0.43) | CACNB4CACNA1ACACNA1GCACNG3CACNA1F | |
| SCHEMBL28455484 | 0.85 | APLNR (0.42) | PIK3CAPIK3CDPIK3CBPIK3CGALDH1A1 | |
| SCHEMBL28454557 | 0.85 | BTK (0.42) | MAP4K1 | |
| SCHEMBL28450201 | 0.84 | GPR119 (0.44) | CACNB4CACNA1ACACNA1GCACNG3CACNA1F | |
| SCHEMBL28455511 | 0.79 | BTK (0.53) | — | |
| SCHEMBL28898133 | 0.78 | APLNR (0.44) | CACNB4CACNA1ACACNA1GCACNG3CACNA1F | |
| SCHEMBL28452362 | 0.78 | EGFR (0.44) | IRAK4MAP4K1 | |
| SCHEMBL28450193 | 0.78 | BTK (0.42) | — |
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-111662232-B | Small molecule compound with 2H-indazole structure and synthesis and application thereof | 中国科学院上海药物研究所 | 2022-08-02 | — | — | CN | disclosed |
| CN-111662232-A | Small molecule compound with 2H-indazole structure and synthesis and application thereof | 中国科学院上海药物研究所 | 2020-09-15 | — | — | CN | disclosed |