Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 2/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.54 |
| ▸ | GSK3B | P49841 | 3/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | CASP7 | P55210 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | RECQL | P46063 | 1/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL16628768 | 0.89 | ADORA2A (0.54) | ADORA2AADORA1SLC6A3ADORA3CYP1A2 | |
| SCHEMBL3081056 | 0.86 | ADORA2A (0.70) | ADORA2AADORA1ADORA3ALDH1A1LMNA | |
| SCHEMBL16628795 | 0.85 | ADORA3 (0.66) | ADORA2AADORA1ADORA3CASP1KDM4E | |
| SCHEMBL3087954 | 0.83 | ADORA2A (0.66) | ADORA2AADORA1ADORA3ALDH1A1ADORA2B | |
| SCHEMBL16628820 | 0.82 | ADORA3 (0.68) | ADORA2AADORA1ADORA3CYP1A2CYP2D6 | |
| SCHEMBL3093862 | 0.80 | ADORA2A (0.62) | ADORA2AADORA1ADORA3KDM4EALDH1A1 | |
| SCHEMBL13144381 | 0.80 | ADORA3 (0.47) | SLC6A3ADORA3CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL3087918 | 0.79 | ADORA3 (0.62) | ADORA2AADORA1ADORA3CYP1A2CYP2D6 | |
| SCHEMBL16628733 | 0.78 | ADORA2A (0.59) | ADORA2AADORA1ADORA3ALDH1A1LMNA | |
| SCHEMBL16628808 | 0.77 | ADORA2A (0.55) | ADORA2AADORA1ADORA3CYP1A2ALDH1A1 |
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-2164833-B1 | Quinazolinamide derivatives useful for the treatment of tumour diseases | MERCK PATENT GMBH (DE) | 2015-04-15 | — | — | EP | claimed |