Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CRHR1 | P34998 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | GHSR | Q92847 | 4/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.34 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.34 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.34 |
| ▸ | AVPR1A | P37288 | 1/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5877719 | 0.94 | CRHR1 (0.39) | CRHR1CYP2D6HTR2CGHSRKCNH2 | |
| SCHEMBL5877943 | 0.93 | CRHR1 (0.40) | CRHR1CYP2D6GHSRKCNH2CYP3A4 | |
| SCHEMBL5877425 | 0.86 | CYP2D6 (0.43) | CRHR1CYP2D6HTR2CGHSRKCNH2 | |
| SCHEMBL5877446 | 0.84 | CRHR1 (0.41) | CRHR1CYP2D6HTR2CGHSRKCNH2 | |
| SCHEMBL5877807 | 0.81 | F11 (0.47) | CRHR1CYP2D6HTR2CGHSRKCNH2 | |
| SCHEMBL5877561 | 0.81 | CYP2D6 (0.46) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5877717 | 0.81 | EGFR (0.44) | CRHR1CYP2D6HTR2CGHSRKCNH2 | |
| SCHEMBL5876985 | 0.79 | CRHR1 (0.44) | CRHR1CYP2D6HTR2CGHSRKCNH2 | |
| SCHEMBL5878217 | 0.79 | POLB (0.46) | CYP2D6HTR2CGHSRKCNH2CYP3A4 | |
| SCHEMBL5877056 | 0.78 | CRHR1 (0.43) | CRHR1CYP2D6GHSRKCNH2CYP3A4 |
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 |