Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CD | O00329 | 1/20 | 0.41 |
| ▸ | PIK3R2 | O00459 | 1/20 | 0.41 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.41 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.41 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.41 |
| ▸ | PIK3R5 | Q8WYR1 | 1/20 | 0.41 |
| ▸ | PIK3R3 | Q92569 | 1/20 | 0.41 |
| ▸ | USP30 | Q70CQ3 | 2/20 | 0.41 |
| ▸ | BTK | Q06187 | 5/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HSD17B13 | Q7Z5P4 | 1/20 | 0.40 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | SRC | P12931 | 2/20 | 0.40 |
| ▸ | KDM5A | P29375 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | JAK1 | P23458 | 1/20 | 0.39 |
| ▸ | ALOX5AP | P20292 | 1/20 | 0.39 |
| ▸ | FEN1 | P39748 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28457726 | 0.93 | PIK3CD (0.41) | PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG | |
| SCHEMBL28458766 | 0.90 | BTK (0.42) | PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG | |
| SCHEMBL28898133 | 0.90 | APLNR (0.44) | PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG | |
| SCHEMBL28455465 | 0.89 | HSD17B13 (0.44) | BTKHSD17B13JAK2JAK1 | |
| SCHEMBL28898963 | 0.88 | HDAC1 (0.46) | USP30BTKHDAC6HDAC4JAK2 | |
| SCHEMBL28452393 | 0.87 | HSD17B13 (0.49) | PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG | |
| SCHEMBL28452589 | 0.87 | USP30 (0.45) | USP30BTKHDAC6HDAC4EGFR | |
| SCHEMBL28456326 | 0.86 | APLNR (0.42) | PIK3CDPIK3CAPIK3CBPIK3CGUSP30 | |
| SCHEMBL28461486 | 0.84 | GPR119 (0.46) | USP30HDAC6HDAC4CHEK2 | |
| SCHEMBL28449733 | 0.84 | CNR1 (0.46) | USP30BTKHDAC6HDAC4CHEK2 |
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 |