Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.55 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | P4HB | P07237 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.48 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.48 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | GPR139 | Q6DWJ6 | 1/20 | 0.46 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.46 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.46 |
| ▸ | GSK3B | P49841 | 1/20 | 0.46 |
| ▸ | VNN1 | O95497 | 3/20 | 0.46 |
| ▸ | NAMPT | P43490 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL17339504 | 1.00 | TRPV1 (0.55) | TRPV1CHRM3GAAP4HBEPHX2 | |
| SCHEMBL17339214 | 0.89 | CHRM3 (0.56) | CHRM3GAAEPHX2ENPP2HDAC2 | |
| SCHEMBL17142140 | 0.85 | HDAC2 (0.64) | CHRM3GAAEPHX2HDAC2HDAC8 | |
| SCHEMBL5091359 | 0.84 | CHRM3 (0.54) | CHRM3GAAEPHX2HDAC2HDAC8 | |
| SCHEMBL7233161 | 0.84 | CHRM3 (0.54) | CHRM3GAAEPHX2HDAC2HDAC8 | |
| SCHEMBL17339532 | 0.84 | EPHX2 (0.67) | TRPV1EPHX2ENPP2HDAC6MAOA | |
| SCHEMBL7989764 | 0.83 | GAA (0.53) | CHRM3GAAEPHX2HDAC2HDAC8 | |
| SCHEMBL7985996 | 0.83 | GAA (0.56) | CHRM3GAAVNN1 | |
| SCHEMBL28146231 | 0.83 | CHRM3 (0.55) | CHRM3GAAEPHX2HDAC2HDAC8 | |
| SCHEMBL17339264 | 0.82 | VNN1 (0.49) | CHRM3GAAP4HBEPHX2ENPP2 |
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-114685516-A | Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer | 洛克索肿瘤学股份有限公司 | 2022-07-01 | — | — | CN | disclosed |
| CN-108431007-B | Pyrazolopyrimidine derivatives as BTK inhibitors for the treatment of cancer | 洛克索肿瘤学股份有限公司 | 2022-06-07 | — | — | CN | disclosed |