Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 4/20 | 0.45 |
| ▸ | IKBKB | O14920 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 4/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.34 |
| ▸ | MAP4K2 | Q12851 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 3/20 | 0.33 |
| ▸ | JAK3 | P52333 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL16263850 | 0.77 | CFTR (0.53) | CFTRIKBKBRAB9AALDH1A1NPC1 | |
| SCHEMBL19494373 | 0.75 | CFTR (0.48) | CFTRIKBKBJAK2KMT2A | |
| SCHEMBL19494946 | 0.75 | CFTR (0.51) | CFTRIKBKBRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL16337048 | 0.75 | CFTR (0.60) | CFTRIKBKBRAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL19494685 | 0.74 | CFTR (0.49) | CFTRIKBKBALDH1A1JAK2KMT2A | |
| SCHEMBL19494765 | 0.72 | CFTR (0.54) | CFTRIKBKBRAB9AALDH1A1NPC1 | |
| SCHEMBL19494465 | 0.71 | CFTR (0.43) | CFTRIKBKBRAB9ANPC1JAK2 | |
| SCHEMBL16263805 | 0.70 | CFTR (0.55) | CFTRIKBKBRAB9AALDH1A1NPC1 | |
| SCHEMBL19494571 | 0.69 | CFTR (0.46) | CFTRIKBKBJAK2KMT2A | |
| SCHEMBL19494317 | 0.69 | CFTR (0.47) | CFTRIKBKBRAB9ASMN1; SMN2ALDH1A1 |
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-2994463-B1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS | GALAPAGOS NV (BE) | 2017-10-25 | — | — | EP | disclosed |
| WO-2014180562-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS | GALAPAGOS NV (BE) | 2014-11-13 | — | — | WO | disclosed |