Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.49 |
| ▸ | MPO | P05164 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | LIPG | Q9Y5X9 | 2/20 | 0.41 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.41 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | SORT1 | Q99523 | 3/20 | 0.40 |
| ▸ | KCNQ3 | O43525 | 1/20 | 0.39 |
| ▸ | KCNQ2 | O43526 | 1/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.39 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.39 |
| ▸ | LIPC | P11150 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4440220 | 0.95 | CFTR (0.54) | CFTRMPOKDM4EALDH1A1HPGD | |
| SCHEMBL4436473 | 0.89 | MPO (0.50) | MPOKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL4440554 | 0.84 | KDM4E (0.49) | KDM4EALDH1A1HPGDHSD17B10CYP2C19 | |
| SCHEMBL15911983 | 0.82 | ALDH1A1 (0.56) | KDM4EALDH1A1HPGDHSD17B10USP2 | |
| SCHEMBL8530063 | 0.81 | ALDH1A1 (0.57) | CFTRMPOKDM4EALDH1A1HPGD | |
| SCHEMBL11703013 | 0.81 | KCNQ3 (0.53) | CFTRKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL8535062 | 0.79 | KCNK2 (0.46) | MPOKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL15911985 | 0.78 | KDM4E (0.49) | KDM4EALDH1A1HPGDHSD17B10USP2 | |
| SCHEMBL4437772 | 0.78 | KEAP1 (0.57) | MPOKDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL4448426 | 0.77 | SLC6A4 (0.51) | CFTRKDM4EALDH1A1HPGDHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2061754-A1 | BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008115999-A1 | BIARYL AND BIHETEROARYL COMPOUNDS USEFUL IN TREATING IRON DISORDERS | XENON PHARMACEUTICALS INC. (CA) | 2008-09-25 | — | — | WO | disclosed |