Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.55 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.52 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.51 |
| ▸ | IDO1 | P14902 | 1/20 | 0.49 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | RAF1 | P04049 | 1/20 | 0.46 |
| ▸ | NPY5R | Q15761 | 1/20 | 0.45 |
| ▸ | BRD4 | O60885 | 1/20 | 0.44 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | PIM1 | P11309 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.43 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.42 |
| ▸ | GPX4 | P36969 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL14616445 | 0.86 | CTSS (0.50) | IKBKBNOTUMSCN2AIDO1MAPK14 | |
| SCHEMBL19728985 | 0.85 | KIF11 (0.49) | IKBKBNOTUMSCN2AMEN1POLB | |
| SCHEMBL3055345 | 0.81 | TNIK (0.52) | NOTUMSCN2ARAF1POLBKMT2A | |
| SCHEMBL7001664 | 0.81 | KDR (0.60) | IKBKBNOTUMSCN2AIDO1NPY5R | |
| SCHEMBL12948535 | 0.78 | POLB (0.39) | NOTUMPOLB | |
| SCHEMBL20465066 | 0.78 | NOTUM (0.51) | NOTUMIDO1NPY5RCYP1A2POLB | |
| SCHEMBL1773863 | 0.75 | RAB9A (0.61) | POLB | |
| SCHEMBL20411744 | 0.75 | TRPV3 (0.40) | NOTUMRAF1POLB | |
| SCHEMBL5068328 | 0.75 | CYP1A2 (0.47) | IKBKBNOTUMSCN2AIDO1CYP1A2 | |
| SCHEMBL1413881 | 0.75 | KMT2A (0.54) | IKBKBRAF1PIN1CYP1A2MEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1802373-A | Pyrazoloisoquinoline derivatives as kinase inhibitors | AVENTIS PHARMA INC (US) | 2006-07-12 | — | — | CN | claimed |
| WO-2016001341-A1 | SULFONYLAMINOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE | F. HOFFMANN-LA ROCHE AG (CH) | 2016-01-07 | — | — | WO | disclosed |
| CN-1802373-A | Pyrazoloisoquinoline derivatives as kinase inhibitors | AVENTIS PHARMA INC (US) | 2006-07-12 | — | — | CN | disclosed |