Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
| ▸ | PIM1 | P11309 | 2/20 | 0.42 |
| ▸ | PIM3 | Q86V86 | 2/20 | 0.42 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.41 |
| ▸ | FLT3 | P36888 | 2/20 | 0.41 |
| ▸ | AURKA | O14965 | 1/20 | 0.41 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 1/20 | 0.41 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.41 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.41 |
| ▸ | PAK4 | O96013 | 1/20 | 0.41 |
| ▸ | ABL1 | P00519 | 1/20 | 0.41 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.41 |
| ▸ | CSF1R | P07333 | 1/20 | 0.41 |
| ▸ | RET | P07949 | 1/20 | 0.41 |
| ▸ | MET | P08581 | 1/20 | 0.41 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.41 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29953308 | 1.00 | CYP2A6 (0.44) | CYP2A6CYP19A1PIM1PIM3ERN1 | |
| SCHEMBL17601383 | 0.79 | DAO (0.60) | CYP19A1ERN1CDK5 | |
| SCHEMBL4106429 | 0.79 | DAO (0.60) | FLT3PDGFRBPDGFRAGRIA1GRIA2 | |
| SCHEMBL18548573 | 0.78 | CYP19A1 (0.49) | CYP2A6CYP19A1PIM1CHEK1FLT3 | |
| SCHEMBL29855487 | 0.77 | CYP2A6 (0.58) | CYP2A6CHEK1FLT3PDGFRBFGFR1 | |
| SCHEMBL4273824 | 0.77 | CYP2A6 (0.58) | CYP2A6CYP19A1PIM1PIM3ERN1 | |
| SCHEMBL98219 | 0.77 | CYP2A6 (0.58) | CYP2A6CHEK1FLT3PDGFRBFGFR1 | |
| SCHEMBL2731348 | 0.76 | KDM4E (0.58) | PDGFRBPDGFRA | |
| SCHEMBL17603426 | 0.76 | IDH1 (0.44) | GRIA1GRIA2GRIA3GRIA4 | |
| SCHEMBL15746560 | 0.76 | PARP1 (0.43) | GRIA1GRIA2GRIA3GRIA4 |
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-2009128262-A1 | QUINOLONE DERIVATIVE AND USE THEREOF | 武田薬品工業株式会社 (JP) | 2009-10-22 | — | — | WO | disclosed |