Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.52 |
| ▸ | USP2 | O75604 | 3/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CASP1 | P29466 | 1/20 | 0.47 |
| ▸ | CASP7 | P55210 | 1/20 | 0.47 |
| ▸ | PDE4A | P27815 | 1/20 | 0.46 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.46 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.46 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PTGES | O14684 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6308411 | 0.86 | DHFR (0.49) | PDE4APDE4BPDE4CPDE4DPTGES | |
| SCHEMBL6308352 | 0.85 | PDE4A (0.59) | CYP1A2CYP2C19CYP2C9TSHRALDH1A1 | |
| SCHEMBL6314098 | 0.84 | F11 (0.55) | CYP1A2CYP3A4CYP2C19CYP2C9USP2 | |
| SCHEMBL6309834 | 0.84 | PTGES (0.50) | PDE4APDE4BPDE4CPDE4DPTGES | |
| SCHEMBL6313515 | 0.83 | GHSR (0.50) | ALDH1A1MEN1KMT2APLA2G2A | |
| SCHEMBL6315949 | 0.83 | F11 (0.56) | CYP1A2CYP3A4CYP2C19CYP2C9USP2 | |
| SCHEMBL6307391 | 0.82 | F11 (0.55) | CYP1A2CYP3A4CYP2C19CYP2C9USP2 | |
| SCHEMBL6308155 | 0.82 | BRD4 (0.47) | CYP1A2CYP3A4CYP2C19CYP2C9USP2 | |
| SCHEMBL6306622 | 0.82 | F11 (0.56) | CYP1A2CYP3A4CYP2C19CYP2C9USP2 | |
| SCHEMBL6306102 | 0.81 | F11 (0.47) | CYP1A2CYP3A4CYP2C19CYP2C9USP2 |
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-6890930-B1 | Quinazolinones | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2005-05-10 | — | — | US | disclosed |
| EP-1216235-A1 | QUINAZOLINONES | MERCK PATENT GmbH (DE) | 2002-06-26 | — | — | EP | disclosed |
| WO-2001023365-A1 | QUINAZOLINONES | MERCK PATENT GMBH (DE) | 2001-04-05 | — | — | WO | disclosed |