Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.68 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.64 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | UBE2I | P63279 | 1/20 | 0.56 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.56 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.56 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.56 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.56 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.56 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.56 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL16628794 | 0.88 | ADORA3 (0.58) | ADORA3KMT2ASMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL3081056 | 0.88 | ADORA2A (0.70) | ADORA3SMN1; SMN2ADORA2AADORA1ALDH1A1 | |
| SCHEMBL16628795 | 0.87 | ADORA3 (0.66) | ADORA3KMT2AMEN1GAASMN1; SMN2 | |
| SCHEMBL3087954 | 0.85 | ADORA2A (0.66) | ADORA3GAASMN1; SMN2ADORA2AADORA1 | |
| SCHEMBL16628751 | 0.83 | CACNA1B (0.56) | ADORA3KMT2AMEN1CACNA1BAPBA1 | |
| SCHEMBL16628685 | 0.82 | ADORA2A (0.54) | ADORA3CYP1A2CYP2D6CYP2C9ADORA2A | |
| SCHEMBL16628837 | 0.82 | ADORA3 (0.58) | ADORA3KMT2AMEN1GAASMN1; SMN2 | |
| SCHEMBL3093862 | 0.82 | ADORA2A (0.62) | ADORA3SMN1; SMN2CACNA1BAPBA1ADORA2A | |
| SCHEMBL3087918 | 0.80 | ADORA3 (0.62) | ADORA3CYP1A2CYP2D6GAASMN1; SMN2 | |
| SCHEMBL16628733 | 0.80 | ADORA2A (0.59) | ADORA3SMN1; SMN2ADORA2AADORA1ALDH1A1 |
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 |