Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.66 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.60 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.60 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.58 |
| ▸ | RAB9A | P51151 | 2/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 6/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.53 |
| ▸ | APP | P05067 | 1/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | GLA | P06280 | 1/20 | 0.52 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CASP1 | P29466 | 1/20 | 0.52 |
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 | 0.91 | ADORA2A (0.70) | ADORA3ADORA2AADORA1RAB9ANPC1 | |
| SCHEMBL3087954 | 0.88 | ADORA2A (0.66) | ADORA3ADORA2AADORA1RAB9ANPC1 | |
| SCHEMBL16628820 | 0.87 | ADORA3 (0.68) | ADORA3ADORA2AADORA1CTDSP1MAPT | |
| SCHEMBL16628733 | 0.87 | ADORA2A (0.59) | ADORA3ADORA2AADORA1RAB9ANPC1 | |
| SCHEMBL16628685 | 0.85 | ADORA2A (0.54) | ADORA3ADORA2AADORA1RAB9AALDH1A1 | |
| SCHEMBL3093862 | 0.85 | ADORA2A (0.62) | ADORA3ADORA2AADORA1RAB9ANPC1 | |
| SCHEMBL16628808 | 0.84 | ADORA2A (0.55) | ADORA3ADORA2AADORA1RAB9AMAPT | |
| SCHEMBL22543376 | 0.84 | RAB9A (0.60) | ADORA2AADORA1CTDSP1RAB9ANPC1 | |
| SCHEMBL3087918 | 0.83 | ADORA3 (0.62) | ADORA3ADORA2AADORA1RAB9ANPC1 | |
| SCHEMBL31385291 | 0.82 | RAB9A (0.59) | ADORA2AADORA1CTDSP1RAB9ANPC1 |
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 |