Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 2/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | NPY2R | P49146 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.34 |
| ▸ | PREP | P48147 | 1/20 | 0.33 |
| ▸ | BTK | Q06187 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL2326335 | 0.83 | EPHX1 (0.40) | EPHX1ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL618966 | 0.80 | EPHX1 (0.66) | EPHX1ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL212033 | 0.77 | CHRM2 (0.42) | EPHX1MAPTCTSKHRH3HPGD | |
| SCHEMBL4434089 | 0.76 | HPGD (0.39) | EPHX1L3MBTL1CTSKHPGDPREP | |
| SCHEMBL1935995 | 0.76 | CHRM2 (0.34) | EPHX1MAPTCTSKHRH3HPGD | |
| SCHEMBL4038399 | 0.75 | CTSK (0.43) | EPHX1ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL2373613 | 0.75 | HPGD (0.41) | EPHX1ALDH1A1NPC1MAPTHTT | |
| SCHEMBL13696777 | 0.74 | EPHX1 (0.58) | EPHX1ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL654850 | 0.74 | EPHX1 (0.58) | EPHX1ALDH1A1NPC1MAPTMAPK1 | |
| SCHEMBL3332510 | 0.74 | EPHX1 (0.58) | EPHX1ALDH1A1NPC1MAPTMAPK1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2027107-B1 | 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS | BOEHRINGER INGELHEIM INT (DE) | 2012-02-15 | — | — | EP | disclosed |
| EP-2357181-A1 | 2,4-Diaminopyrimidines as inhibitors of cell cycle kinases | Boehringer Ingelheim International GmbH (DE) | 2011-08-17 | — | — | EP | disclosed |
| EP-2027107-A1 | 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS | Boehringer Ingelheim International GmbH (DE) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007132010-A1 | 2, 4 -DIAMINO PYRIMIDINES AS CELL CYCLE KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-11-22 | — | — | WO | disclosed |