Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 4/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.59 |
| ▸ | APP | P05067 | 2/20 | 0.57 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.48 |
| ▸ | MLYCD | O95822 | 1/20 | 0.48 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.48 |
| ▸ | DHFR | P00374 | 1/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| SCHEMBL3090422 | 0.86 | ADORA2A (0.65) | ADORA2AADORA1APPADORA3ADORA2B | |
| SCHEMBL3081056 | 0.85 | ADORA2A (0.70) | ADORA2AADORA1APPADORA3ADORA2B | |
| SCHEMBL16628733 | 0.84 | ADORA2A (0.59) | ADORA2AADORA1APPADORA3ADORA2B | |
| SCHEMBL16628794 | 0.81 | ADORA3 (0.58) | ADORA2AADORA1APPCA1CA2 | |
| SCHEMBL3233030 | 0.80 | NAMPT (0.64) | NAMPTMLYCDCNR1MAPK14CDK8 | |
| SCHEMBL3087954 | 0.80 | ADORA2A (0.66) | ADORA2AADORA1APPADORA3ADORA2B | |
| SCHEMBL3093862 | 0.79 | ADORA2A (0.62) | ADORA2AADORA1APPADORA3ADORA2B | |
| SCHEMBL16628768 | 0.79 | ADORA2A (0.54) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL31385201 | 0.78 | MLYCD (0.59) | APPMLYCDPTGER4MAPK14 | |
| SCHEMBL31385200 | 0.78 | MLYCD (0.59) | APPMLYCDPTGER4MAPK14 |
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 |