Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 2/20 | 0.45 |
| ▸ | PI4KA | P42356 | 2/20 | 0.45 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.45 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.40 |
| ▸ | PIP5K1C | O60331 | 1/20 | 0.40 |
| ▸ | TDO2 | P48775 | 1/20 | 0.40 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.39 |
| ▸ | PLK4 | O00444 | 2/20 | 0.38 |
| ▸ | AURKA | O14965 | 2/20 | 0.38 |
| ▸ | DAPK3 | O43293 | 2/20 | 0.38 |
| ▸ | CHEK2 | O96017 | 2/20 | 0.38 |
| ▸ | CDK1 | P06493 | 2/20 | 0.38 |
| ▸ | PIM1 | P11309 | 2/20 | 0.38 |
| ▸ | PRKACA | P17612 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22027627 | 1.00 | PIK3CA (0.45) | PIK3CAPI4KAPI4KBASH1LALDH1A1 | |
| SCHEMBL14860945 | 0.79 | ASH1L (0.62) | PIK3CAPI4KAPI4KBASH1LALDH1A1 | |
| SCHEMBL31621268 | 0.79 | ASH1L (0.62) | PIK3CAPI4KAPI4KBASH1LALDH1A1 | |
| SCHEMBL22027626 | 0.77 | CDK2 (0.49) | PLK4AURKADAPK3CHEK2CDK1 | |
| SCHEMBL11106316 | 0.72 | PIK3CA (0.47) | PIK3CAPI4KAPI4KBASH1LALDH1A1 | |
| SCHEMBL3043444 | 0.71 | CYP1A2 (0.47) | PIK3CAPI4KAPI4KBASH1LALDH1A1 | |
| SCHEMBL189244 | 0.70 | ASH1L (0.59) | PIK3CAPI4KAPI4KBASH1LALDH1A1 | |
| SCHEMBL25973455 | 0.69 | TDO2 (0.48) | ALDH1A1MAPTTDO2PRKCZPLK4 | |
| SCHEMBL2624081 | 0.68 | ALDH1A1 (0.50) | ASH1LALDH1A1MAPTMAPK1KDM4E | |
| SCHEMBL4919115 | 0.68 | SMN1; SMN2 (0.44) | PIK3CAPI4KAPI4KBALDH1A1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3661941-B1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-12-14 | — | — | EP | claimed |