Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 4/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28547465 | 0.88 | CHRNB2 (0.39) | BTKSMN1; SMN2CHRNB2CHRNA4CHRNB4 | |
| SCHEMBL25648835 | 0.87 | BTK (0.43) | BTKSMN1; SMN2HSD11B1CHRNB2CHRNA4 | |
| SCHEMBL17008904 | 0.84 | BTK (0.41) | BTKSMN1; SMN2HSD11B1CHRNB2CHRNA4 | |
| SCHEMBL3300669 | 0.84 | BTK (0.38) | BTKHSD11B1 | |
| SCHEMBL28927597 | 0.84 | BTK (0.41) | BTKSMN1; SMN2HSD11B1CHRNB2CHRNA4 | |
| SCHEMBL28840605 | 0.84 | BTK (0.41) | BTKSMN1; SMN2HSD11B1CHRNB2CHRNA4 | |
| SCHEMBL4275610 | 0.83 | BTK (0.38) | BTKHSD11B1 | |
| SCHEMBL9964560 | 0.81 | BTK (0.37) | BTKHSD11B1CHRM2CHRM3 | |
| SCHEMBL574102 | 0.80 | BTK (0.36) | BTKHSD11B1CHRM2CHRM3 | |
| SCHEMBL1296894 | 0.78 | BTK (0.49) | BTKSMN1; SMN2HSD11B1CHRNB2CHRNA4 |
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-106068264-B | Pyrimidine pyrazolyl derivatives and their use as IRAK inhibitors | 默克专利有限公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-106068264-A | PYRIMIDINE PYRAZOLYL DERIVATIVES AND THEIR USE AS IRAK INHIBITORS | 默克专利有限公司 | 2016-11-02 | — | — | CN | disclosed |