Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.54 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.54 |
| ▸ | ADORA3 | P0DMS8 | 5/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 6/20 | 0.49 |
| ▸ | CLK4 | Q9HAZ1 | 5/20 | 0.49 |
| ▸ | USP2 | O75604 | 5/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.49 |
| ▸ | TSHR | P16473 | 4/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | APEX1 | P27695 | 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 | |
|---|---|---|---|---|
| SCHEMBL16628685 | 0.89 | ADORA2A (0.54) | ADORA2AADORA1ADORA3CYP1A2CYP2D6 | |
| SCHEMBL16628733 | 0.84 | ADORA2A (0.59) | ADORA2AADORA1ADORA3ALDH1A1LMNA | |
| SCHEMBL3081056 | 0.83 | ADORA2A (0.70) | ADORA2AADORA1ADORA3TSHRALDH1A1 | |
| SCHEMBL3090422 | 0.82 | ADORA2A (0.65) | ADORA2AADORA1ADORA3ALDH1A1LMNA | |
| SCHEMBL16628794 | 0.81 | ADORA3 (0.58) | ADORA2AADORA1ADORA3LMNAKMT2A | |
| SCHEMBL16628767 | 0.81 | CYP3A4 (0.48) | ADORA3CYP1A2CYP3A4CYP2C19CLK4 | |
| SCHEMBL16628738 | 0.79 | ADORA2A (0.59) | ADORA2AADORA1ADORA3ADORA2B | |
| SCHEMBL16628795 | 0.78 | ADORA3 (0.66) | ADORA2AADORA1ADORA3TSHRALDH1A1 | |
| SCHEMBL3093862 | 0.78 | ADORA2A (0.62) | ADORA2AADORA1ADORA3TSHRALDH1A1 | |
| SCHEMBL16628774 | 0.76 | RAB9A (0.58) | ADORA2AADORA1ADORA3MEN1KMT2A |
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 |