Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | GCK | P35557 | 1/20 | 0.34 |
| ▸ | MPI | P34949 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | HRH1 | P35367 | 1/20 | 0.33 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.33 |
| ▸ | MKNK1 | Q9BUB5 | 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 | |
|---|---|---|---|---|
| SCHEMBL20099885 | 0.94 | CXCR4 (0.49) | CXCR4KDM4EL3MBTL1ALDH1A1KDM1A | |
| SCHEMBL5728737 | 0.86 | L3MBTL1 (0.45) | CXCR4KDM4EL3MBTL1ALDH1A1KDM1A | |
| SCHEMBL11218925 | 0.83 | HRH1 (0.50) | CXCR4KDM1AMAOAMAOBHRH1 | |
| SCHEMBL6668385 | 0.81 | TDP1 (0.49) | CXCR4KDM4EL3MBTL1KDM1AMAOA | |
| SCHEMBL2096356 | 0.81 | KDM1A (0.40) | CXCR4KDM4EL3MBTL1ALDH1A1KDM1A | |
| SCHEMBL26931374 | 0.81 | CYP2A6 (0.48) | CXCR4KDM4EL3MBTL1ALDH1A1KDM1A | |
| SCHEMBL19304381 | 0.80 | TDP1 (0.47) | KDM4EL3MBTL1KDM1AMAOAMAOB | |
| SCHEMBL5452167 | 0.80 | TDP1 (0.47) | KDM4EL3MBTL1KDM1AMAOAMAOB | |
| SCHEMBL22166126 | 0.80 | TDP1 (0.47) | KDM4EL3MBTL1KDM1AMAOAMAOB | |
| SCHEMBL21076459 | 0.80 | TDP1 (0.47) | KDM4EL3MBTL1KDM1AMAOAMAOB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3315492-B1 | PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | KISSEI PHARMACEUTICAL (JP) | 2020-09-16 | — | — | EP | disclosed |
| WO-2019072978-A1 | MITOCHONDRIAL INHIBITORS FOR THE TREATMENT OF PROLIFERATION DISORDERS | Basilea Pharmaceutica International AG (CH) | 2019-04-18 | — | — | WO | disclosed |
| EP-3315492-A1 | PYRAZOLE DERIVATIVE, OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF | Kissei Pharmaceutical Co., Ltd. (JP) | 2018-05-02 | — | — | EP | disclosed |