Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ADORA3 | P0DMS8 | 10/20 | 0.37 |
| ▸ | ADORA2A | P29274 | 10/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 10/20 | 0.37 |
| ▸ | YTHDC1 | Q96MU7 | 1/20 | 0.36 |
| ▸ | ADORA2B | P29275 | 5/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | PI4KA | P42356 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL29877869 | 0.80 | CYP2C19 (0.45) | CYP1A2TSHRCYP2C19ADORA3ADORA2A | |
| SCHEMBL14964663 | 0.80 | CYP2C19 (0.45) | CYP1A2TSHRCYP2C19ADORA3ADORA2A | |
| SCHEMBL17847271 | 0.77 | PI4KA (0.46) | CYP1A2TSHRCYP2C19ADORA3ADORA2A | |
| SCHEMBL12068396 | 0.77 | CYP2C19 (0.43) | CYP1A2TSHRCYP2C19ADORA3ADORA2A | |
| SCHEMBL5724445 | 0.77 | CYP1A2 (0.50) | CYP1A2TSHRCYP2C19ADORA3ADORA2A | |
| SCHEMBL783034 | 0.76 | CYP1A2 (0.40) | CYP1A2TSHRCYP2C19ADORA3ADORA2A | |
| SCHEMBL6664608 | 0.76 | ADORA3 (0.47) | CYP1A2TSHRCYP2C19ADORA3ADORA2A | |
| SCHEMBL29877816 | 0.75 | CYP2C19 (0.43) | CYP1A2TSHRCYP2C19ADORA3ADORA2A | |
| SCHEMBL6659013 | 0.74 | ADORA3 (0.48) | ADORA3ADORA2AADORA1ADORA2BALDH1A1 | |
| SCHEMBL21685107 | 0.73 | CYP1A2 (0.44) | CYP1A2TSHRCYP2C19ADORA3ADORA2A |
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-1444982-A1 | The use of purine derivatives as selective kinase inhibitors | MERCKLE GMBH (DE) | 2004-08-11 | — | — | EP | disclosed |