Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 6/20 | 0.59 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.59 |
| ▸ | RAB9A | P51151 | 3/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.56 |
| ▸ | APP | P05067 | 1/20 | 0.55 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 3/20 | 0.50 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL3081056 | 0.88 | ADORA2A (0.70) | ADORA2AADORA1RAB9ANPC1ADORA3 | |
| SCHEMBL16628795 | 0.87 | ADORA3 (0.66) | ADORA2AADORA1RAB9ANPC1ADORA3 | |
| SCHEMBL3090422 | 0.86 | ADORA2A (0.65) | ADORA2AADORA1RAB9ANPC1ADORA3 | |
| SCHEMBL16628794 | 0.86 | ADORA3 (0.58) | ADORA2AADORA1RAB9ANPC1ADORA3 | |
| SCHEMBL16628768 | 0.84 | ADORA2A (0.54) | ADORA2AADORA1ADORA3ADORA2BMAPT | |
| SCHEMBL16628738 | 0.84 | ADORA2A (0.59) | ADORA2AADORA1ADORA3APPADORA2B | |
| SCHEMBL3093862 | 0.82 | ADORA2A (0.62) | ADORA2AADORA1RAB9ANPC1ADORA3 | |
| SCHEMBL16628808 | 0.81 | ADORA2A (0.55) | ADORA2AADORA1RAB9AADORA3ADORA2B | |
| SCHEMBL3075309 | 0.81 | NPC1 (0.56) | ADORA2AADORA1RAB9ANPC1ADORA3 | |
| SCHEMBL16628774 | 0.81 | RAB9A (0.58) | ADORA2AADORA1RAB9ANPC1ADORA3 |
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 |