Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 6/20 | 0.43 |
| ▸ | IKBKB | O14920 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.43 |
| ▸ | JAK2 | O60674 | 2/20 | 0.43 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19494413 | 0.89 | IKBKB (0.46) | CFTRIKBKBMEN1KMT2AJAK2 | |
| SCHEMBL19494938 | 0.83 | MEN1 (0.41) | CFTRIKBKBMEN1KMT2AJAK2 | |
| SCHEMBL19494898 | 0.80 | JAK2 (0.45) | CFTRIKBKBMEN1KMT2AJAK2 | |
| SCHEMBL16263917 | 0.77 | CFTR (0.73) | CFTRIKBKBMEN1KMT2AJAK2 | |
| SCHEMBL19494397 | 0.77 | CFTR (0.44) | CFTRIKBKBMEN1KMT2AJAK2 | |
| SCHEMBL19494442 | 0.75 | MEN1 (0.42) | CFTRIKBKBMEN1KMT2AJAK2 | |
| SCHEMBL16387372 | 0.75 | IKBKB (0.44) | IKBKBMEN1KMT2AJAK2CYP1A2 | |
| SCHEMBL19494512 | 0.74 | IKBKB (0.41) | CFTRIKBKBMEN1KMT2AJAK2 | |
| SCHEMBL19494934 | 0.74 | KMT2A (0.41) | CFTRIKBKBMEN1KMT2AJAK2 | |
| SCHEMBL19494660 | 0.74 | TYK2 (0.46) | CFTRIKBKBMEN1KMT2AJAK2 |
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-2994463-B1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF CYSTIC FIBROSIS | GALAPAGOS NV (BE) | 2017-10-25 | — | — | EP | disclosed |