Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 15/20 | 1.00 |
| ▸ | HSP90AB1 | P08238 | 7/20 | 1.00 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.43 |
| ▸ | TRAP1 | Q12931 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL16628709 | 0.89 | HSP90AA1 (0.80) | HSP90AA1HSP90AB1HSP90B1TRAP1SMN1; SMN2 | |
| SCHEMBL3086700 | 0.89 | HSP90AA1 (0.79) | HSP90AA1HSP90AB1MAOBSMN1; SMN2HPGD | |
| SCHEMBL16628713 | 0.88 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1MAOBSMN1; SMN2HPGD | |
| SCHEMBL12199578 | 0.86 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1SMN1; SMN2HPGD | |
| SCHEMBL903930 | 0.86 | HSP90AA1 (0.76) | HSP90AA1HSP90AB1HSP90B1TRAP1SMN1; SMN2 | |
| SCHEMBL3085489 | 0.86 | HSP90AA1 (0.76) | HSP90AA1HSP90AB1HSP90B1TRAP1SMN1; SMN2 | |
| SCHEMBL16628804 | 0.86 | HSP90AA1 (0.76) | HSP90AA1HSP90AB1HSP90B1TRAP1SMN1; SMN2 | |
| SCHEMBL16628710 | 0.86 | HSP90AA1 (0.76) | HSP90AA1HSP90AB1MAOBSMN1; SMN2 | |
| SCHEMBL3095799 | 0.86 | HSP90AA1 (0.76) | HSP90AA1HSP90AB1SMN1; SMN2 | |
| SCHEMBL2505825 | 0.86 | HSP90AA1 (0.76) | HSP90AA1HSP90AB1HSP90B1TRAP1SMN1; SMN2 |
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 2 patents. 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 |
| EP-2164833-B1 | Quinazolinamide derivatives useful for the treatment of tumour diseases | MERCK PATENT GMBH (DE) | 2015-04-15 | — | — | EP | disclosed |