Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | DRD3 | P35462 | 7/20 | 0.43 |
| ▸ | DPP4 | P27487 | 3/20 | 0.42 |
| ▸ | DRD2 | P14416 | 2/20 | 0.41 |
| ▸ | DRD4 | P21917 | 1/20 | 0.41 |
| ▸ | CCR1 | P32246 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL12862355 | 0.78 | DPP4 (0.48) | ALDH1A1MAPK1DPP4 | |
| SCHEMBL1911889 | 0.77 | DPP4 (0.49) | DPP4 | |
| SCHEMBL12564068 | 0.77 | DPP4 (0.49) | DPP4 | |
| SCHEMBL12564521 | 0.77 | DPP4 (0.49) | DPP4 | |
| SCHEMBL1911897 | 0.76 | DPP4 (0.47) | ALDH1A1DPP4 | |
| SCHEMBL1911855 | 0.76 | DPP4 (0.53) | ALDH1A1DPP4 | |
| SCHEMBL1912001 | 0.76 | DPP4 (0.47) | ALDH1A1ALOX15DPP4CCR1 | |
| SCHEMBL1911880 | 0.76 | DPP4 (0.44) | ALDH1A1ALOX15MAPK1DPP4 | |
| SCHEMBL1912064 | 0.76 | SUV39H2 (0.47) | ALDH1A1ALOX15MAPK1DPP4 | |
| SCHEMBL10207426 | 0.76 | SUV39H2 (0.39) | ALDH1A1DPP4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1660458-B1 | 2, 4-PYRIMIDINEDIAMINES USEFUL IN THE TREATMENT OF NEOPLASTIC DISEASES, INFLAMMATORY AND IMMUNE SYSTEM DISORDERS | NOVARTIS AG (CH) | 2012-01-25 | — | — | EP | disclosed |
| EP-2275413-A1 | 2,4-di(phenylamino)-pyrimidines useful in the treatment of neoplastic diseases, inflammatory and immune system disorders. | Novartis AG (CH) | 2011-01-19 | — | — | EP | disclosed |