Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.49 |
| ▸ | NQO2 | P16083 | 2/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 2/20 | 0.48 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.47 |
| ▸ | MKNK2 | Q9HBH9 | 2/20 | 0.47 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.47 |
| ▸ | DYRK1B | Q9Y463 | 1/20 | 0.47 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.46 |
| ▸ | AXL | P30530 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9930223 | 0.82 | FGFR1 (0.51) | CYP2A6ADORA2ATDO2 | |
| SCHEMBL2652567 | 0.78 | AXL (0.56) | CYP2A6NQO2ADORA2AADORA2BMKNK1 | |
| SCHEMBL16835900 | 0.77 | TDO2 (0.47) | CYP2A6MKNK1MKNK2DYRK1ADYRK1B | |
| SCHEMBL16826222 | 0.77 | CYP2A6 (0.50) | CYP2A6MKNK1MKNK2DYRK1ADYRK1B | |
| SCHEMBL30207083 | 0.76 | CYP2A6 (0.51) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL25871478 | 0.76 | CYP2A6 (0.51) | CYP2A6MKNK1MKNK2CYP3A4ALDH1A1 | |
| SCHEMBL9949281 | 0.76 | HSP90AA1 (0.42) | ADORA2AHSP90AA1NPY5R | |
| SCHEMBL9929901 | 0.75 | CDK9 (0.57) | MEN1 | |
| SCHEMBL21044098 | 0.75 | AXL (0.56) | CYP2A6NQO2ADORA2AADORA2BMKNK1 | |
| SCHEMBL473704 | 0.74 | ADORA2A (0.45) | CYP2A6ADORA2AMKNK1MKNK2MEN1 |
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-2473499-A1 | BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES | Novartis AG (CH) | 2012-07-11 | — | — | EP | disclosed |
| WO-2011026911-A1 | BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES | NOVARTIS AG (CH) | 2011-03-10 | — | — | WO | disclosed |
| WO-2011026911-A1 | BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES | NOVARTIS AG (CH) | 2011-03-10 | — | — | WO | disclosed |