Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | AXL | P30530 | 1/20 | 0.41 |
| ▸ | DAO | P14920 | 1/20 | 0.35 |
| ▸ | DDO | Q99489 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 4/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 3/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL890079 | 0.77 | DAO (0.55) | KEAP1CYP2A6AXLDAODDO | |
| SCHEMBL30807019 | 0.77 | DAO (0.55) | KEAP1CYP2A6AXLDAODDO | |
| SCHEMBL394630 | 0.74 | CYP2A6 (0.70) | KEAP1CYP2A6AXLGAARXFP1 | |
| SCHEMBL93623 | 0.74 | CA2 (0.50) | KEAP1CYP2A6AXLDAODDO | |
| SCHEMBL30697897 | 0.74 | LMNA (0.52) | KEAP1CYP2A6AXLALDH1A1LMNA | |
| SCHEMBL475358 | 0.74 | LMNA (0.52) | KEAP1CYP2A6AXLALDH1A1LMNA | |
| SCHEMBL8529940 | 0.74 | CYP2A6 (0.44) | KEAP1CYP2A6AXLDAODDO | |
| SCHEMBL614723 | 0.74 | LMNA (0.56) | KEAP1CYP2A6DAOGAACYP1A2 | |
| SCHEMBL2993745 | 0.74 | KEAP1 (0.52) | KEAP1CYP2A6AXLDAODDO | |
| SCHEMBL30648021 | 0.74 | CA2 (0.50) | KEAP1CYP2A6AXLDAODDO |
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 |
|---|---|---|---|---|---|---|---|
| EP-3052107-B1 | ORGANIC COMPOUNDS TO TREAT HEPATITIS B VIRUS | NOVARTIS AG (CH) | 2018-05-02 | — | — | EP | disclosed |