Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 4/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | TYK2 | P29597 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | ACKR3 | P25106 | 2/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL12436743 | 1.00 | EPHX2 (0.45) | EPHX2POLBCCNA2CDK2GSK3A | |
| SCHEMBL12513455 | 0.86 | POLB (0.57) | EPHX2POLBMAPK1CYP2D6HRH3 | |
| SCHEMBL22722039 | 0.86 | POLB (0.57) | EPHX2POLBMAPK1CYP2D6HRH3 | |
| SCHEMBL12513426 | 0.86 | POLB (0.57) | EPHX2POLBMAPK1CYP2D6HRH3 | |
| SCHEMBL12436705 | 0.86 | POLB (0.57) | EPHX2POLBMAPK1CYP2D6HRH3 | |
| SCHEMBL1661736 | 0.82 | EPHX2 (0.42) | EPHX2GSK3BTSHRCNR2 | |
| SCHEMBL16888226 | 0.81 | EPHX2 (0.46) | EPHX2POLBCCNA2CDK2GSK3A | |
| SCHEMBL12436735 | 0.80 | POLB (0.52) | EPHX2POLBMAPK1CYP2D6HRH3 | |
| SCHEMBL22722008 | 0.80 | POLB (0.52) | EPHX2POLBMAPK1CYP2D6HRH3 | |
| SCHEMBL13321815 | 0.79 | POLB (0.50) | EPHX2POLBMAPK1CYP2D6HRH3 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| US-RE48334-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-01 | — | — | US | disclosed |