Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.47 |
| ▸ | AXL | P30530 | 1/20 | 0.45 |
| ▸ | MAP3K11 | Q16584 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 7/20 | 0.38 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | FGFR1 | P11362 | 1/20 | 0.36 |
| ▸ | SRC | P12931 | 1/20 | 0.36 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.36 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.36 |
| ▸ | FGFR3 | P22607 | 1/20 | 0.36 |
| ▸ | KDR | P35968 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 2/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9959961 | 0.75 | CYP2A6 (0.49) | CYP2A6KEAP1AXLMAPTHPGD | |
| SCHEMBL1486903 | 0.74 | PDE3B (0.48) | CYP2A6KEAP1AXLMAPTHPGD | |
| SCHEMBL23010853 | 0.72 | HTR3A (0.54) | CYP2A6KEAP1AXLMAPTHPGD | |
| SCHEMBL4178268 | 0.72 | ADRB1 (0.56) | CYP2A6KEAP1AXLHTT | |
| SCHEMBL75581 | 0.68 | CYP2A6 (0.63) | CYP2A6KEAP1AXLMAPTHPGD | |
| SCHEMBL29727931 | 0.68 | CYP2A6 (0.63) | CYP2A6KEAP1AXLMAPTHPGD | |
| SCHEMBL8344266 | 0.65 | CYP2A6 (0.59) | CYP2A6KEAP1AXLMAPTHPGD | |
| SCHEMBL12433 | 0.65 | KEAP1 (0.59) | CYP2A6KEAP1AXLMAPTHPGD | |
| SCHEMBL7669990 | 0.65 | CYP2A6 (0.59) | CYP2A6KEAP1AXLMAPTHPGD | |
| SCHEMBL266816 | 0.65 | CYP2A6 (0.59) | CYP2A6KEAP1AXLMAPTHPGD |
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-2085383-A1 | PIPERIDINE DERIVATIVES OR SALTS THEREOF | Astellas Pharma Inc. (JP) | 2009-08-05 | — | — | EP | disclosed |