Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 3/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | NPC1 | O15118 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.57 |
| ▸ | NAMPT | P43490 | 4/20 | 0.56 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.54 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.54 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.53 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.53 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.53 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.53 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.53 |
| ▸ | PTAFR | P25105 | 2/20 | 0.52 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.52 |
| ▸ | PTGFR | P43088 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | GBA1 | P04062 | 1/20 | 0.50 |
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 | 0.89 | ADORA2A (0.70) | RAB9ANPC1SMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL3093862 | 0.83 | ADORA2A (0.62) | RAB9ANPC1SMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL3076505 | 0.81 | ADORA2A (0.68) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL3087954 | 0.81 | ADORA2A (0.66) | RAB9ANPC1SMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL16628795 | 0.81 | ADORA3 (0.66) | RAB9AMEN1NPC1KMT2ASMN1; SMN2 | |
| SCHEMBL3090422 | 0.81 | ADORA2A (0.65) | RAB9ANPC1ADORA2AADORA1ADORA3 | |
| SCHEMBL16628733 | 0.81 | ADORA2A (0.59) | RAB9ANPC1SMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL16628744 | 0.80 | ADORA2A (0.71) | RAB9AMEN1NPC1KMT2ASMN1; SMN2 | |
| SCHEMBL4662136 | 0.80 | RAB9A (0.83) | RAB9AMEN1NPC1KMT2ASMN1; SMN2 | |
| SCHEMBL3087918 | 0.79 | ADORA3 (0.62) | RAB9ANPC1SMN1; SMN2ADORA2AADORA1 |
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 |