Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK1 | P06493 | 16/20 | 0.57 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.50 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.50 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.50 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.50 |
| ▸ | CCNK | O75909 | 2/20 | 0.46 |
| ▸ | CDK12 | Q9NYV4 | 2/20 | 0.46 |
| ▸ | CDK2 | P24941 | 4/20 | 0.43 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.43 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.41 |
| ▸ | CCNE2 | O96020 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5839632 | 0.83 | CDK1 (0.71) | CDK1CCNKCDK12CDK2CCNB1 | |
| SCHEMBL27397625 | 0.82 | CDK1 (0.57) | CDK1TMIGD3ADORA2AADORA2BADORA1 | |
| SCHEMBL5840099 | 0.79 | CDK1 (0.56) | CDK1TMIGD3ADORA2AADORA2BADORA1 | |
| SCHEMBL5840230 | 0.74 | CDK1 (0.82) | CDK1CCNKCDK12PRKCA | |
| SCHEMBL5840633 | 0.74 | CDK1 (0.50) | CDK1TMIGD3ADORA2AADORA2BADORA1 | |
| SCHEMBL5839924 | 0.73 | CDK1 (1.00) | CDK1CDK5CDK5R1PRKCA | |
| SCHEMBL18520823 | 0.73 | CDK1 (0.53) | CDK1TMIGD3ADORA2AADORA2BADORA1 | |
| SCHEMBL12982866 | 0.72 | CDK1 (0.81) | CDK1CDK2CCNE1CCNE2ALDH1A1 | |
| SCHEMBL5839245 | 0.72 | CDK1 (0.81) | CDK1CCNKCDK12CDK5CDK5R1 | |
| SCHEMBL5840277 | 0.72 | CDK1 (0.71) | CDK1CCNKCDK12CDK5CDK5R1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7091346-B1 | Purine derivatives and processes for their preparation | NOVARTIS AG (CH) | 2006-08-15 | — | — | US | disclosed |
| EP-0874846-B1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 2003-04-02 | — | — | EP | disclosed |
| EP-0874846-A1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | Novartis AG (CH) | 1998-11-04 | — | — | EP | disclosed |
| WO-1997016452-A1 | PURINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION | NOVARTIS AG (CH) | 1997-05-09 | — | — | WO | disclosed |