Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | AXL | P30530 | 1/20 | 0.40 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | EIF4A3 | P38919 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12475503 | 0.85 | KEAP1 (0.47) | KEAP1CYP2A6AXLP2RX7NFE2L2 | |
| SCHEMBL13062674 | 0.81 | KEAP1 (0.44) | KEAP1CYP2A6AXLP2RX7NFE2L2 | |
| SCHEMBL2925830 | 0.78 | KEAP1 (0.41) | KEAP1CYP2A6AXLP2RX7NFE2L2 | |
| SCHEMBL12669319 | 0.78 | ALDH1A1 (0.47) | KEAP1CYP2A6AXLP2RX7NFE2L2 | |
| SCHEMBL12123168 | 0.77 | CYP2A6 (0.56) | KEAP1CYP2A6AXLMAPTKDM4E | |
| SCHEMBL298208 | 0.75 | AXL (0.49) | KEAP1CYP2A6AXLMAPTKDM4E | |
| SCHEMBL5989670 | 0.75 | EIF4A3 (0.51) | KEAP1CYP2A6AXLP2RX7NFE2L2 | |
| SCHEMBL4430051 | 0.74 | CYP2A6 (0.54) | KEAP1CYP2A6AXLMAPTKDM4E | |
| SCHEMBL12804231 | 0.73 | KEAP1 (0.42) | KEAP1CYP2A6AXLP2RX7NFE2L2 | |
| SCHEMBL24103674 | 0.72 | EIF4A3 (0.45) | KEAP1CYP2A6AXLP2RX7NFE2L2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012083164-A1 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2012-06-21 | — | — | WO | disclosed |
| EP-2455376-A1 | Heterocyclic compounds as inhibitors of hepatitis C virus (HCV) | Abbott Laboratories (US) | 2012-05-23 | — | — | EP | disclosed |
| EP-2368890-A1 | Hepatitis C virus inhibitors | Abbott Laboratories (US) | 2011-09-28 | — | — | EP | disclosed |
| WO-2010144646-A2 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2010-12-16 | — | — | WO | disclosed |
| WO-2010120935-A1 | ANTI-VIRAL COMPOUNDS | ABBOTT LABORATORIES (US) | 2010-10-21 | — | — | WO | disclosed |