Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 3/20 | 0.48 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | CFTR | P13569 | 2/20 | 0.47 |
| ▸ | CKS1B | P61024 | 1/20 | 0.46 |
| ▸ | SKP1 | P63208 | 1/20 | 0.46 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.46 |
| ▸ | MERTK | Q12866 | 1/20 | 0.45 |
| ▸ | JAK3 | P52333 | 1/20 | 0.43 |
| ▸ | BTK | Q06187 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 2/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.41 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 2/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL16984504 | 0.88 | CFTR (0.45) | PARP1CFTRCKS1BSKP1SKP2 | |
| SCHEMBL16984512 | 0.83 | USP30 (0.51) | PARP1EPHX1 | |
| SCHEMBL16984602 | 0.83 | CFTR (0.52) | PARP1NAMPTCFTRCKS1BSKP1 | |
| SCHEMBL8515787 | 0.81 | CKS1B (0.61) | CKS1BSKP1SKP2JAK3BTK | |
| SCHEMBL16984572 | 0.81 | POLB (0.54) | PARP1CKS1BSKP1SKP2 | |
| SCHEMBL4616966 | 0.80 | EPHX2 (0.59) | PARP1NAMPTCFTRCKS1BSKP1 | |
| SCHEMBL19782581 | 0.79 | KMT2A (0.41) | CKS1BSKP1SKP2JAK3BTK | |
| SCHEMBL12367094 | 0.78 | PARP1 (0.49) | PARP1NAMPTCFTRCKS1BSKP1 | |
| SCHEMBL7384523 | 0.77 | JAK3 (0.59) | CKS1BSKP1SKP2JAK3BTK | |
| SCHEMBL38663924 | 0.77 | JAK3 (0.59) | CKS1BSKP1SKP2JAK3BTK |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015113927-A1 | AMINO-SUBSTITUTED ISOTHIAZOLES | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-08-06 | — | — | WO | disclosed |