Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | PANK3 | Q9H999 | 4/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 3/20 | 0.34 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | AR | P10275 | 4/20 | 0.33 |
| ▸ | PGR | P06401 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.32 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.32 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.32 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.32 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.32 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.32 |
| ▸ | TNIK | Q9UKE5 | 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 | |
|---|---|---|---|---|
| SCHEMBL2815513 | 0.83 | ALDH1A1 (0.41) | ALDH1A1KDM4EL3MBTL1HPGDJAK3 | |
| SCHEMBL27297816 | 0.80 | AR (0.39) | ALDH1A1KDM4EL3MBTL1PANK3HPGD | |
| SCHEMBL31473419 | 0.80 | AR (0.39) | ALDH1A1KDM4EL3MBTL1PANK3HPGD | |
| SCHEMBL27306012 | 0.78 | AR (0.52) | ALDH1A1KDM4EL3MBTL1PANK3HPGD | |
| SCHEMBL27306293 | 0.77 | AR (0.40) | ALDH1A1KDM4EL3MBTL1JAK3JAK2 | |
| SCHEMBL31473395 | 0.77 | SMN1; SMN2 (0.41) | ALDH1A1PANK3SIRT2MAP4K4MINK1 | |
| SCHEMBL27305881 | 0.76 | JAK2 (0.42) | ALDH1A1KDM4EL3MBTL1JAK3JAK2 | |
| SCHEMBL27305667 | 0.76 | AR (0.56) | ALDH1A1KDM4EL3MBTL1JAK3JAK2 | |
| SCHEMBL165008 | 0.76 | ALDH1A1 (0.46) | ALDH1A1KDM4EL3MBTL1HPGDJAK3 | |
| SCHEMBL19418192 | 0.75 | ALDH1A1 (0.42) | ALDH1A1KDM4EL3MBTL1PANK3HPGD |
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-2925757-B1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PARASITIC DISEASES | NOVARTIS AG (CH) | 2017-10-04 | — | — | EP | disclosed |