Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NNMT | P40261 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GLA | P06280 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 4/20 | 0.32 |
| ▸ | JAK2 | O60674 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | EIF2AK2 | P19525 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | GFER | P55789 | 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 | |
|---|---|---|---|---|
| SCHEMBL19494847 | 0.76 | JAK2 (0.38) | KDM4EGAAIKBKBJAK2MEN1 | |
| SCHEMBL19494898 | 0.75 | JAK2 (0.45) | ALDH1A1KDM4EIKBKBJAK2MEN1 | |
| SCHEMBL19494452 | 0.73 | SCD (0.39) | KDM4EGAAIKBKBJAK2MAPK8 | |
| SCHEMBL19494470 | 0.71 | CHEK1 (0.38) | IKBKBJAK2MEN1KMT2AEIF2AK2 | |
| SCHEMBL19494648 | 0.71 | CHEK1 (0.39) | KDM4EJAK2 | |
| SCHEMBL19494318 | 0.70 | ALDH1A1 (0.35) | NNMTALDH1A1KDM4EGLAGAA | |
| SCHEMBL19494549 | 0.68 | CHEK1 (0.39) | ALDH1A1KDM4EGAAPOLBIKBKB | |
| SCHEMBL19494924 | 0.68 | CHEK1 (0.51) | JAK2MAPK8 | |
| SCHEMBL19494907 | 0.68 | ICAM1 (0.44) | IKBKBJAK2 | |
| SCHEMBL19494940 | 0.67 | IKBKB (0.37) | ALDH1A1KDM4EIKBKBJAK2MEN1 |
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 |