Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.46 |
| ▸ | HTR2C | P28335 | 1/20 | 0.46 |
| ▸ | GHSR | Q92847 | 3/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.42 |
| ▸ | F11 | P03951 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.39 |
| ▸ | AKR1B10 | O60218 | 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 | |
|---|---|---|---|---|
| SCHEMBL5877561 | 0.94 | CYP2D6 (0.46) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5878076 | 0.93 | EGFR (0.46) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5877637 | 0.92 | F11 (0.49) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5877265 | 0.91 | ABCC1 (0.44) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5878217 | 0.90 | POLB (0.46) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5877228 | 0.89 | ABCC1 (0.55) | KCNH2POLBRXFP1ABCC1MEN1 | |
| SCHEMBL5877425 | 0.88 | CYP2D6 (0.43) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5877998 | 0.88 | MEN1 (0.53) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5878230 | 0.88 | CYP2D6 (0.52) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5877641 | 0.87 | ABCC1 (0.46) | CYP2D6HTR2CGHSRKCNH2CYP3A4 |
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 |