Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | PREP | P48147 | 1/20 | 0.30 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| Piperazine SCHEMBL28059508 | 0.86 | PREP (0.33) | CHRM2CHRM1CHRM3PREP | |
| SCHEMBL28856336 | 0.83 | CHRM2 (0.38) | CHRM2CHRM1CHRM3PREP | |
| SCHEMBL1838102 | 0.81 | PREP (0.37) | CHRM2CHRM1CHRM3PREP | |
| SCHEMBL28111336 | 0.80 | — | — | |
| SCHEMBL28244009 | 0.80 | PARP1 (0.32) | PARP1 | |
| Hydrochloric Acid SCHEMBL28241841 | 0.80 | PREP (0.36) | CHRM2CHRM1CHRM3PREP | |
| SCHEMBL28244753 | 0.78 | PARP1 (0.32) | PARP1 | |
| SCHEMBL29552182 | 0.78 | PREP (0.34) | CHRM2CHRM1CHRM3PREP | |
| Pyrrole SCHEMBL28865869 | 0.75 | GPR119 (0.32) | PREP | |
| SCHEMBL28110993 | 0.75 | — | — |
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 |