Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CDC7 | O00311 | 1/20 | 0.34 |
| ▸ | CIT | O14578 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.34 |
| ▸ | GSK3B | P49841 | 1/20 | 0.34 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.34 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.34 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.34 |
| ▸ | TAOK3 | Q9H2K8 | 1/20 | 0.34 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.34 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.34 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.34 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1712816 | 0.83 | CHRNB2 (0.46) | PARP1CHRNB2CHRNA4CHRNA7L3MBTL1 | |
| SCHEMBL24364091 | 0.78 | CYP2D6 (0.47) | PARP1CHRNB2CHRNA4CHRNA7L3MBTL1 | |
| SCHEMBL878913 | 0.76 | CHRNB2 (0.49) | PARP1CHRNB2CHRNA4CHRNA7L3MBTL1 | |
| SCHEMBL2240758 | 0.76 | CHRNB2 (0.40) | PARP1CHRNB2CHRNA4CHRNA7L3MBTL1 | |
| SCHEMBL2240750 | 0.76 | CHRNB2 (0.40) | PARP1CHRNB2CHRNA4CHRNA7L3MBTL1 | |
| SCHEMBL2556356 | 0.75 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNA7L3MBTL1CYP1A2 | |
| SCHEMBL2560659 | 0.75 | CHRNB2 (0.51) | CHRNB2CHRNA4CHRNA7L3MBTL1CYP1A2 | |
| SCHEMBL11830816 | 0.75 | CHRNB2 (0.46) | PARP1CHRNB2CHRNA4CHRNA7L3MBTL1 | |
| SCHEMBL28789963 | 0.74 | ADRB1 (0.45) | PARP1CHRNB2CHRNA4CHRNA7L3MBTL1 | |
| SCHEMBL2706701 | 0.71 | MEN1 (0.41) | PARP1CHRNB2CHRNA4CHRNA7L3MBTL1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108601769-B | Pyrazole compounds and methods of making and using the same | H.隆德贝克有限公司 | 2021-09-03 | — | — | CN | disclosed |