Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 4/20 | 0.46 |
| ▸ | PDE1A | P54750 | 1/20 | 0.44 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.44 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | CASR | P41180 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5878284 | 0.89 | EGFR (0.45) | PDE4APDE4BPDE4CPDE4DPDE1A | |
| SCHEMBL5877634 | 0.88 | CASR (0.45) | PDE1APDE1BPDE1CMEN1KMT2A | |
| SCHEMBL5877934 | 0.88 | GHSR (0.41) | PDE1APDE1BPDE1C | |
| SCHEMBL5877477 | 0.85 | ADORA3 (0.45) | ALDH1A1PDE1APDE1BPDE1C | |
| SCHEMBL5878393 | 0.82 | ALDH1A1 (0.44) | ALDH1A1PDE4APDE4BPDE4CPDE4D | |
| SCHEMBL5877050 | 0.81 | ABCC1 (0.62) | ALDH1A1ABCC1MEN1KMT2ACASR | |
| SCHEMBL5878372 | 0.80 | PDE1A (0.43) | ALDH1A1HDAC6PDE1APDE1BPDE1C | |
| SCHEMBL5878320 | 0.79 | ABCC1 (0.62) | ALDH1A1ABCC1MEN1KMT2ACASR | |
| SCHEMBL5877284 | 0.79 | ATM (0.58) | ALDH1A1HDAC6PDE1APDE1BPDE1C | |
| SCHEMBL5877881 | 0.77 | ABCC1 (0.53) | ALDH1A1PDE4APDE4BPDE4CPDE4D |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7060706-B1 | Quinazolinones | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2006-06-13 | — | — | US | disclosed |
| EP-1216233-A1 | QUINAZOLINONES | MERCK PATENT GmbH (DE) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001023364-A1 | QUINAZOLINONES | MERCK PATENT GMBH (DE) | 2001-04-05 | — | — | WO | disclosed |